[(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate

C43H56N6O6 — CID 175355160

IUPAC[(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate
SMILESCOc1cc(C(=O)N2CCC[C@@H](OC(N)=O)C2C(C)(C)C)cn2nc(-c3cc4cccc(C5CCN(C(=O)C6CCCCO6)CC5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C43H56N6O6/c1-26-36(45-49-25-30(23-35(53-5)37(26)49)40(50)47-18-9-13-33(55-42(44)52)39(47)43(2,3)4)32-22-29-10-8-11-31(38(29)48(32)24-27-14-15-27)28-16-19-46(20-17-28)41(51)34-12-6-7-21-54-34/h8,10-11,22-23,25,27-28,33-34,39H,6-7,9,12-21,24H2,1-5H3,(H2,44,52)/t33-,34?,39?/m1/s1
InChIKeyPDQNCYXXITYXSV-UVSOMRPZSA-N
MW752.96 g/mol
LogP7.07
Rot. Bonds8

About [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate

[(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate (PubChem CID 175355160) has the molecular formula C43H56N6O6 and a molecular weight of 752.96 g/mol. Its IUPAC name is [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate
PubChem CID175355160
Molecular FormulaC43H56N6O6
Molecular Weight752.96 g/mol
Exact Mass752.43
IUPAC Name[(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate
SMILESCOc1cc(C(=O)N2CCC[C@@H](OC(N)=O)C2C(C)(C)C)cn2nc(-c3cc4cccc(C5CCN(C(=O)C6CCCCO6)CC5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C43H56N6O6/c1-26-36(45-49-25-30(23-35(53-5)37(26)49)40(50)47-18-9-13-33(55-42(44)52)39(47)43(2,3)4)32-22-29-10-8-11-31(38(29)48(32)24-27-14-15-27)28-16-19-46(20-17-28)41(51)34-12-6-7-21-54-34/h8,10-11,22-23,25,27-28,33-34,39H,6-7,9,12-21,24H2,1-5H3,(H2,44,52)/t33-,34?,39?/m1/s1
InChIKeyPDQNCYXXITYXSV-UVSOMRPZSA-N
XLogP7.07
TPSA133.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate 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

1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone
CID 166709749
[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(3-hydroxycyclobutyl)methanone
CID 156829307
[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 166709540
[(3R,5R)-2-tert-butyl-1-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl] carbamate
CID 175796020
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one
CID 166709460
1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166709809
[3-[2-[6-(3-aminopiperidine-1-carbonyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 166709518
[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone
CID 156828918
azetidin-1-yl-[3-[1-(cyclopropylmethyl)-2-[5-[(2S,5R)-5-ethyl-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]cyclobutyl]methanone
CID 174030164
methyl 4-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidine-1-carboxylate
CID 170692512
[(3R,5R)-1-[2-[6-acetyl-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-tert-butyl-5-fluoropiperidin-3-yl] carbamate
CID 175796059
1-[4-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-hydroxyethanone
CID 167260270

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate?
The IUPAC name of [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate (CID 175355160) is [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate?
The canonical SMILES for [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate is COc1cc(C(=O)N2CCC[C@@H](OC(N)=O)C2C(C)(C)C)cn2nc(-c3cc4cccc(C5CCN(C(=O)C6CCCCO6)CC5)c4n3CC3CC3)c(C)c12.
What is the InChIKey of [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate?
The InChIKey is PDQNCYXXITYXSV-UVSOMRPZSA-N. The full InChI is InChI=1S/C43H56N6O6/c1-26-36(45-49-25-30(23-35(53-5)37(26)49)40(50)47-18-9-13-33(55-42(44)52)39(47)43(2,3)4)32-22-29-10-8-11-31(38(29)48(32)24-27-14-15-27)28-16-19-46(20-17-28)41(51)34-12-6-7-21-54-34/h8,10-11,22-23,25,27-28,33-34,39H,6-7,9,12-21,24H2,1-5H3,(H2,44,52)/t33-,34?,39?/m1/s1.
What are the key properties of [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate?
[(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate has a molecular weight of 752.96 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-tert-butyl-1-[2-[1-(cyclopropylmethyl)-7-[1-(oxane-2-carbonyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175355160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).