tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate

C32H35ClFN7O2 — CID 178053419

IUPACtert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate
SMILESCc1ccc([C@H](C)n2cc(-c3ccc4c(F)cnn4c3)c3c(N4CCC(NC(=O)OC(C)(C)C)CC4)c(Cl)cnc32)nc1
InChIInChI=1S/C32H35ClFN7O2/c1-19-6-8-26(35-14-19)20(2)40-18-23(21-7-9-27-25(34)16-37-41(27)17-21)28-29(24(33)15-36-30(28)40)39-12-10-22(11-13-39)38-31(42)43-32(3,4)5/h6-9,14-18,20,22H,10-13H2,1-5H3,(H,38,42)/t20-/m0/s1
InChIKeyWWGCQHQCWKYVHJ-FQEVSTJZSA-N
MW604.13 g/mol
LogP6.95
Rot. Bonds5

About tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate (PubChem CID 178053419) has the molecular formula C32H35ClFN7O2 and a molecular weight of 604.13 g/mol. Its IUPAC name is tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate
PubChem CID178053419
Molecular FormulaC32H35ClFN7O2
Molecular Weight604.13 g/mol
Exact Mass603.25
IUPAC Nametert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate
SMILESCc1ccc([C@H](C)n2cc(-c3ccc4c(F)cnn4c3)c3c(N4CCC(NC(=O)OC(C)(C)C)CC4)c(Cl)cnc32)nc1
InChIInChI=1S/C32H35ClFN7O2/c1-19-6-8-26(35-14-19)20(2)40-18-23(21-7-9-27-25(34)16-37-41(27)17-21)28-29(24(33)15-36-30(28)40)39-12-10-22(11-13-39)38-31(42)43-32(3,4)5/h6-9,14-18,20,22H,10-13H2,1-5H3,(H,38,42)/t20-/m0/s1
InChIKeyWWGCQHQCWKYVHJ-FQEVSTJZSA-N
XLogP6.95
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.13
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[1-[2-chloro-3-(5,6-difluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 176911277
tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
CID 175980138
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 118057666
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-[2-chloro-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 146450428
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate (CID 178053419) is tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate is Cc1ccc([C@H](C)n2cc(-c3ccc4c(F)cnn4c3)c3c(N4CCC(NC(=O)OC(C)(C)C)CC4)c(Cl)cnc32)nc1.
What is the InChIKey of tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate?
The InChIKey is WWGCQHQCWKYVHJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C32H35ClFN7O2/c1-19-6-8-26(35-14-19)20(2)40-18-23(21-7-9-27-25(34)16-37-41(27)17-21)28-29(24(33)15-36-30(28)40)39-12-10-22(11-13-39)38-31(42)43-32(3,4)5/h6-9,14-18,20,22H,10-13H2,1-5H3,(H,38,42)/t20-/m0/s1.
What are the key properties of tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 604.13 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 178053419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).