[4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol

C18H15ClN6O — CID 67383423

IUPAC[4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol
SMILESCc1cc(Nc2nccc3[nH]c(-c4cc(CO)ccc4Cl)nc23)ncn1
InChIInChI=1S/C18H15ClN6O/c1-10-6-15(22-9-21-10)24-18-16-14(4-5-20-18)23-17(25-16)12-7-11(8-26)2-3-13(12)19/h2-7,9,26H,8H2,1H3,(H,23,25)(H,20,21,22,24)
InChIKeyVMTMAFOTCJIFGS-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.61
Rot. Bonds4

About [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol

[4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol (PubChem CID 67383423) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol
PubChem CID67383423
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name[4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol
SMILESCc1cc(Nc2nccc3[nH]c(-c4cc(CO)ccc4Cl)nc23)ncn1
InChIInChI=1S/C18H15ClN6O/c1-10-6-15(22-9-21-10)24-18-16-14(4-5-20-18)23-17(25-16)12-7-11(8-26)2-3-13(12)19/h2-7,9,26H,8H2,1H3,(H,23,25)(H,20,21,22,24)
InChIKeyVMTMAFOTCJIFGS-UHFFFAOYSA-N
XLogP3.61
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol (CID 67383423) is [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol is Cc1cc(Nc2nccc3[nH]c(-c4cc(CO)ccc4Cl)nc23)ncn1.
What is the InChIKey of [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
The InChIKey is VMTMAFOTCJIFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-10-6-15(22-9-21-10)24-18-16-14(4-5-20-18)23-17(25-16)12-7-11(8-26)2-3-13(12)19/h2-7,9,26H,8H2,1H3,(H,23,25)(H,20,21,22,24).
What are the key properties of [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol?
[4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol has a molecular weight of 366.81 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[4-[(6-methylpyrimidin-4-yl)amino]-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 67383423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).