3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate — IUPAC name, SMILES, InChIKey & properties

Name: 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 157334684) has the molecular formula C95H125Cl3N20O20 and a molecular weight of 1973.52 g/mol. Its IUPAC name is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Name	3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID	157334684
Molecular Formula	C95H125Cl3N20O20
Molecular Weight	1973.52 g/mol
Exact Mass	1970.84
IUPAC Name	3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILES	CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CC[C@H]3O)cnn12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C4CCCOC4)c3=O)nc12.Nc1cccn([C@@H]2CCCOC2)c1=O
InChI	InChI=1S/C29H38N6O6.2C19H25ClN4O4.C18H23ClN4O4.C10H14N2O2/c1-29(2,3)41-28(38)33(4)25-15-24(31-21-9-6-12-34(27(21)37)19-8-7-13-40-17-19)32-26-20(16-30-35(25)26)22(36)14-18-10-11-23(18)39-5;21-19(2,3)28-18(26)23(4)16-9-15(20)22-17-12(10-21-24(16)17)13(25)8-11-6-7-14(11)27-5;1-18(2,3)27-17(26)22(4)15-8-14(19)21-16-11(9-20-23(15)16)13(25)7-10-5-6-12(10)24;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,9,12,15-16,18-19,23H,7-8,10-11,13-14,17H2,1-5H3,(H,31,32);29-11,14H,6-8H2,1-5H3;8-10,12,24H,5-7H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t18?,19?,23-;2*11?,14-;10?,12-;8-/m11111/s1
InChIKey	BFRVLKQQTZIJJW-YNGXWARKSA-N
XLogP	15.74
TPSA	455.63 Å²
H-Bond Donors	3
H-Bond Acceptors	36
Rotatable Bonds	23
Heavy Atoms	138
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.52
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 157334684) is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CC[C@H]3O)cnn12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(C4CCCOC4)c3=O)nc12.Nc1cccn([C@@H]2CCCOC2)c1=O.

What is the InChIKey of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is BFRVLKQQTZIJJW-YNGXWARKSA-N. The full InChI is InChI=1S/C29H38N6O6.2C19H25ClN4O4.C18H23ClN4O4.C10H14N2O2/c1-29(2,3)41-28(38)33(4)25-15-24(31-21-9-6-12-34(27(21)37)19-8-7-13-40-17-19)32-26-20(16-30-35(25)26)22(36)14-18-10-11-23(18)39-5;2*1-19(2,3)28-18(26)23(4)16-9-15(20)22-17-12(10-21-24(16)17)13(25)8-11-6-7-14(11)27-5;1-18(2,3)27-17(26)22(4)15-8-14(19)21-16-11(9-20-23(15)16)13(25)7-10-5-6-12(10)24;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,9,12,15-16,18-19,23H,7-8,10-11,13-14,17H2,1-5H3,(H,31,32);2*9-11,14H,6-8H2,1-5H3;8-10,12,24H,5-7H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t18?,19?,23-;2*11?,14-;10?,12-;8-/m11111/s1.

What are the key properties of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

Where does this data come from?

All data for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 157334684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).