(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol

C20H16ClN7O — CID 135981844

IUPAC(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCn1cc(-c2cnc3[nH]cc(-c4n[nH]c(C(O)c5ccccc5Cl)n4)c3c2)cn1
InChIInChI=1S/C20H16ClN7O/c1-28-10-12(8-24-28)11-6-14-15(9-23-18(14)22-7-11)19-25-20(27-26-19)17(29)13-4-2-3-5-16(13)21/h2-10,17,29H,1H3,(H,22,23)(H,25,26,27)
InChIKeyKUDVOMUNFSURAL-UHFFFAOYSA-N
MW405.85 g/mol
LogP3.48
Rot. Bonds4

About (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol

(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 135981844) has the molecular formula C20H16ClN7O and a molecular weight of 405.85 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID135981844
Molecular FormulaC20H16ClN7O
Molecular Weight405.85 g/mol
Exact Mass405.11
IUPAC Name(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCn1cc(-c2cnc3[nH]cc(-c4n[nH]c(C(O)c5ccccc5Cl)n4)c3c2)cn1
InChIInChI=1S/C20H16ClN7O/c1-28-10-12(8-24-28)11-6-14-15(9-23-18(14)22-7-11)19-25-20(27-26-19)17(29)13-4-2-3-5-16(13)21/h2-10,17,29H,1H3,(H,22,23)(H,25,26,27)
InChIKeyKUDVOMUNFSURAL-UHFFFAOYSA-N
XLogP3.48
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol with MolForge

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Related Compounds

[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
3-(N-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-2-chloroanilino)propanoic acid
CID 57335706
4-N-(2-fluorophenyl)-4-N-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335274
4-(1-methoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 53252762
4-N-benzyl-4-N-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335419
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
(1S)-1-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-pyridin-3-ylethanol
CID 53252628
2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 57344834
N-[1-(3-chlorophenyl)ethyl]-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2-carboxamide
CID 118879838
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
(2S)-3-(N-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-4-methoxyanilino)propane-1,2-diol
CID 57335270

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol (CID 135981844) is (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol is Cn1cc(-c2cnc3[nH]cc(-c4n[nH]c(C(O)c5ccccc5Cl)n4)c3c2)cn1.
What is the InChIKey of (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is KUDVOMUNFSURAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O/c1-28-10-12(8-24-28)11-6-14-15(9-23-18(14)22-7-11)19-25-20(27-26-19)17(29)13-4-2-3-5-16(13)21/h2-10,17,29H,1H3,(H,22,23)(H,25,26,27).
What are the key properties of (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol?
(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 405.85 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 135981844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).