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

C20H20N10 — CID 138560012

IUPAC5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile
SMILESCCc1cc(C#N)ncc1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
InChIInChI=1S/C20H20N10/c1-4-12-5-13(8-21)23-9-15(12)30(3)18-6-14(19-20(28-18)29(2)11-26-19)27-17-7-16(22)24-10-25-17/h5-7,9-11H,4H2,1-3H3,(H3,22,24,25,27,28)
InChIKeyGGWHPICSCBXWON-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.68
Rot. Bonds5

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

5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile (PubChem CID 138560012) has the molecular formula C20H20N10 and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile
PubChem CID138560012
Molecular FormulaC20H20N10
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile
SMILESCCc1cc(C#N)ncc1N(C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
InChIInChI=1S/C20H20N10/c1-4-12-5-13(8-21)23-9-15(12)30(3)18-6-14(19-20(28-18)29(2)11-26-19)27-17-7-16(22)24-10-25-17/h5-7,9-11H,4H2,1-3H3,(H3,22,24,25,27,28)
InChIKeyGGWHPICSCBXWON-UHFFFAOYSA-N
XLogP2.68
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.68
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]-methylamino]-4-ethylpyridine-2-carbonitrile?
The IUPAC name of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile (CID 138560012) is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-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-ethylpyridine-2-carbonitrile?
The canonical SMILES for 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile is CCc1cc(C#N)ncc1N(C)c1cc(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-ethylpyridine-2-carbonitrile?
The InChIKey is GGWHPICSCBXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N10/c1-4-12-5-13(8-21)23-9-15(12)30(3)18-6-14(19-20(28-18)29(2)11-26-19)27-17-7-16(22)24-10-25-17/h5-7,9-11H,4H2,1-3H3,(H3,22,24,25,27,28).
What are the key properties of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile?
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile has a molecular weight of 400.45 g/mol, XLogP of 2.68, 5 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]-methylamino]-4-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 138560012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).