3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C19H18ClN7 — CID 25183047

IUPAC3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1c[nH]c2ncc(-c3nn(C4CCNCC4)cc3-c3ccncn3)cc12
InChIInChI=1S/C19H18ClN7/c20-16-9-24-19-14(16)7-12(8-23-19)18-15(17-3-6-22-11-25-17)10-27(26-18)13-1-4-21-5-2-13/h3,6-11,13,21H,1-2,4-5H2,(H,23,24)
InChIKeyPPHGRJWQAHCFAU-UHFFFAOYSA-N
MW379.86 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 25183047) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID25183047
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1c[nH]c2ncc(-c3nn(C4CCNCC4)cc3-c3ccncn3)cc12
InChIInChI=1S/C19H18ClN7/c20-16-9-24-19-14(16)7-12(8-23-19)18-15(17-3-6-22-11-25-17)10-27(26-18)13-1-4-21-5-2-13/h3,6-11,13,21H,1-2,4-5H2,(H,23,24)
InChIKeyPPHGRJWQAHCFAU-UHFFFAOYSA-N
XLogP3.46
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-one
CID 69368125
5-[3-chloro-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 175663929
3-chloro-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 59137309
(E)-3-(2,4-dichlorophenyl)-3-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enenitrile
CID 174729706
(2S)-1-[[4-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 25182151
3-[2-[5-chloro-2-(trifluoromethyl)phenyl]ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123970762
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 57461718
3-(3,4-dichlorophenyl)-1-piperidin-4-ylpyrrolo[3,2-c]pyridine
CID 67404897
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90466221
3-chloro-5-[4-pyrimidin-4-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-3-yl]phenol
CID 71166760
3-chloro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90286662
2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide
CID 86693825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 25183047) is 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine is Clc1c[nH]c2ncc(-c3nn(C4CCNCC4)cc3-c3ccncn3)cc12.
What is the InChIKey of 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PPHGRJWQAHCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7/c20-16-9-24-19-14(16)7-12(8-23-19)18-15(17-3-6-22-11-25-17)10-27(26-18)13-1-4-21-5-2-13/h3,6-11,13,21H,1-2,4-5H2,(H,23,24).
What are the key properties of 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 379.86 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25183047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).