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

C21H20N10 — CID 138571499

IUPAC5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1N(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C1CC1
InChIInChI=1S/C21H20N10/c1-12-5-13(8-22)24-9-16(12)31(14-3-4-14)19-6-15(20-21(29-19)30(2)11-27-20)28-18-7-17(23)25-10-26-18/h5-7,9-11,14H,3-4H2,1-2H3,(H3,23,25,26,28,29)
InChIKeyLWFLRFUKFLAOKD-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.96
Rot. Bonds5

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

5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile (PubChem CID 138571499) has the molecular formula C21H20N10 and a molecular weight of 412.46 g/mol. Its IUPAC name is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile
PubChem CID138571499
Molecular FormulaC21H20N10
Molecular Weight412.46 g/mol
Exact Mass412.19
IUPAC Name5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1N(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C1CC1
InChIInChI=1S/C21H20N10/c1-12-5-13(8-22)24-9-16(12)31(14-3-4-14)19-6-15(20-21(29-19)30(2)11-27-20)28-18-7-17(23)25-10-26-18/h5-7,9-11,14H,3-4H2,1-2H3,(H3,23,25,26,28,29)
InChIKeyLWFLRFUKFLAOKD-UHFFFAOYSA-N
XLogP2.96
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.96
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]-cyclopropylamino]-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile (CID 138571499) is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-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]-cyclopropylamino]-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1N(c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1)C1CC1.
What is the InChIKey of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile?
The InChIKey is LWFLRFUKFLAOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10/c1-12-5-13(8-22)24-9-16(12)31(14-3-4-14)19-6-15(20-21(29-19)30(2)11-27-20)28-18-7-17(23)25-10-26-18/h5-7,9-11,14H,3-4H2,1-2H3,(H3,23,25,26,28,29).
What are the key properties of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile?
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile has a molecular weight of 412.46 g/mol, XLogP of 2.96, 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]-cyclopropylamino]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 138571499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).