[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H26ClN7O — CID 71766152

IUPAC[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H](c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1)n1cc(Cl)cn1
InChIInChI=1S/C21H26ClN7O/c1-14(29-13-16(22)11-23-29)19-24-17-6-7-18(25-20(17)26-19)28-10-4-5-15(12-28)21(30)27-8-2-3-9-27/h6-7,11,13-15H,2-5,8-10,12H2,1H3,(H,24,25,26)/t14-,15+/m0/s1
InChIKeyNOSUIOGIJKVTAO-LSDHHAIUSA-N
MW427.94 g/mol
LogP3.26
Rot. Bonds4

About [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71766152) has the molecular formula C21H26ClN7O and a molecular weight of 427.94 g/mol. Its IUPAC name is [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID71766152
Molecular FormulaC21H26ClN7O
Molecular Weight427.94 g/mol
Exact Mass427.19
IUPAC Name[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H](c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1)n1cc(Cl)cn1
InChIInChI=1S/C21H26ClN7O/c1-14(29-13-16(22)11-23-29)19-24-17-6-7-18(25-20(17)26-19)28-10-4-5-15(12-28)21(30)27-8-2-3-9-27/h6-7,11,13-15H,2-5,8-10,12H2,1H3,(H,24,25,26)/t14-,15+/m0/s1
InChIKeyNOSUIOGIJKVTAO-LSDHHAIUSA-N
XLogP3.26
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 71766152) is [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is C[C@@H](c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1)n1cc(Cl)cn1.
What is the InChIKey of [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NOSUIOGIJKVTAO-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H26ClN7O/c1-14(29-13-16(22)11-23-29)19-24-17-6-7-18(25-20(17)26-19)28-10-4-5-15(12-28)21(30)27-8-2-3-9-27/h6-7,11,13-15H,2-5,8-10,12H2,1H3,(H,24,25,26)/t14-,15+/m0/s1.
What are the key properties of [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 427.94 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71766152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).