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

C19H18N10 — CID 138560443

IUPAC5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1NCc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
InChIInChI=1S/C19H18N10/c1-11-3-12(6-20)22-8-15(11)23-7-13-4-14(18-19(27-13)29(2)10-26-18)28-17-5-16(21)24-9-25-17/h3-5,8-10,23H,7H2,1-2H3,(H3,21,24,25,27,28)
InChIKeyQZEOFSUWXZGWMP-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.27
Rot. Bonds5

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

5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile (PubChem CID 138560443) has the molecular formula C19H18N10 and a molecular weight of 386.42 g/mol. Its IUPAC name is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile
PubChem CID138560443
Molecular FormulaC19H18N10
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1NCc1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
InChIInChI=1S/C19H18N10/c1-11-3-12(6-20)22-8-15(11)23-7-13-4-14(18-19(27-13)29(2)10-26-18)28-17-5-16(21)24-9-25-17/h3-5,8-10,23H,7H2,1-2H3,(H3,21,24,25,27,28)
InChIKeyQZEOFSUWXZGWMP-UHFFFAOYSA-N
XLogP2.27
TPSA143.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
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]methylamino]-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile (CID 138560443) is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-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]methylamino]-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1NCc1cc(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]methylamino]-4-methylpyridine-2-carbonitrile?
The InChIKey is QZEOFSUWXZGWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10/c1-11-3-12(6-20)22-8-15(11)23-7-13-4-14(18-19(27-13)29(2)10-26-18)28-17-5-16(21)24-9-25-17/h3-5,8-10,23H,7H2,1-2H3,(H3,21,24,25,27,28).
What are the key properties of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile?
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile has a molecular weight of 386.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 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]methylamino]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 138560443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).