5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

C18H15N9O — CID 138560233

IUPAC5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
InChIInChI=1S/C18H15N9O/c1-10-3-11(6-19)21-7-13(10)28-16-4-12(17-18(26-16)27(2)9-24-17)25-15-5-14(20)22-8-23-15/h3-5,7-9H,1-2H3,(H3,20,22,23,25,26)
InChIKeyJMDCIHWKVKPVSB-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.45
Rot. Bonds4

About 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (PubChem CID 138560233) has the molecular formula C18H15N9O and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
PubChem CID138560233
Molecular FormulaC18H15N9O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
InChIInChI=1S/C18H15N9O/c1-10-3-11(6-19)21-7-13(10)28-16-4-12(17-18(26-16)27(2)9-24-17)25-15-5-14(20)22-8-23-15/h3-5,7-9H,1-2H3,(H3,20,22,23,25,26)
InChIKeyJMDCIHWKVKPVSB-UHFFFAOYSA-N
XLogP2.45
TPSA140.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (CID 138560233) is 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1.
What is the InChIKey of 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The InChIKey is JMDCIHWKVKPVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N9O/c1-10-3-11(6-19)21-7-13(10)28-16-4-12(17-18(26-16)27(2)9-24-17)25-15-5-14(20)22-8-23-15/h3-5,7-9H,1-2H3,(H3,20,22,23,25,26).
What are the key properties of 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile has a molecular weight of 373.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 138560233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).