tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C26H32FN7O5 — CID 146572591

IUPACtert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)NC3CCC(O)C3)cnn12
InChIInChI=1S/C26H32FN7O5/c1-26(2,3)39-25(38)32(4)21-12-20(30-18-6-5-9-33(24(18)37)19-11-17(19)27)31-22-16(13-28-34(21)22)23(36)29-14-7-8-15(35)10-14/h5-6,9,12-15,17,19,35H,7-8,10-11H2,1-4H3,(H,29,36)(H,30,31)/t14?,15?,17-,19-/m1/s1
InChIKeyOAHQJOLHFYTFDO-IUSFWMAGSA-N
MW541.58 g/mol
LogP2.93
Rot. Bonds6

About tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 146572591) has the molecular formula C26H32FN7O5 and a molecular weight of 541.58 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID146572591
Molecular FormulaC26H32FN7O5
Molecular Weight541.58 g/mol
Exact Mass541.24
IUPAC Nametert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)NC3CCC(O)C3)cnn12
InChIInChI=1S/C26H32FN7O5/c1-26(2,3)39-25(38)32(4)21-12-20(30-18-6-5-9-33(24(18)37)19-11-17(19)27)31-22-16(13-28-34(21)22)23(36)29-14-7-8-15(35)10-14/h5-6,9,12-15,17,19,35H,7-8,10-11H2,1-4H3,(H,29,36)(H,30,31)/t14?,15?,17-,19-/m1/s1
InChIKeyOAHQJOLHFYTFDO-IUSFWMAGSA-N
XLogP2.93
TPSA143.09 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.58
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 146572591) is tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn([C@@H]3C[C@H]3F)c2=O)nc2c(C(=O)NC3CCC(O)C3)cnn12.
What is the InChIKey of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is OAHQJOLHFYTFDO-IUSFWMAGSA-N. The full InChI is InChI=1S/C26H32FN7O5/c1-26(2,3)39-25(38)32(4)21-12-20(30-18-6-5-9-33(24(18)37)19-11-17(19)27)31-22-16(13-28-34(21)22)23(36)29-14-7-8-15(35)10-14/h5-6,9,12-15,17,19,35H,7-8,10-11H2,1-4H3,(H,29,36)(H,30,31)/t14?,15?,17-,19-/m1/s1.
What are the key properties of tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 541.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-3-[(3-hydroxycyclopentyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 146572591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).