5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

C25H27N9O — CID 138571402

IUPAC5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCC(N(C)C)C3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C25H27N9O/c1-16-9-17(11-26)27-13-21(16)35-23-10-20(24-25(31-23)33(4)15-29-24)30-22-6-5-18(12-28-22)34-8-7-19(14-34)32(2)3/h5-6,9-10,12-13,15,19H,7-8,14H2,1-4H3,(H,28,30,31)
InChIKeySWHWMNYZZOBMSN-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.61
Rot. Bonds6

About 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (PubChem CID 138571402) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
PubChem CID138571402
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCC(N(C)C)C3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C25H27N9O/c1-16-9-17(11-26)27-13-21(16)35-23-10-20(24-25(31-23)33(4)15-29-24)30-22-6-5-18(12-28-22)34-8-7-19(14-34)32(2)3/h5-6,9-10,12-13,15,19H,7-8,14H2,1-4H3,(H,28,30,31)
InChIKeySWHWMNYZZOBMSN-UHFFFAOYSA-N
XLogP3.61
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (CID 138571402) is 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCC(N(C)C)C3)cn2)c2ncn(C)c2n1.
What is the InChIKey of 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The InChIKey is SWHWMNYZZOBMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O/c1-16-9-17(11-26)27-13-21(16)35-23-10-20(24-25(31-23)33(4)15-29-24)30-22-6-5-18(12-28-22)34-8-7-19(14-34)32(2)3/h5-6,9-10,12-13,15,19H,7-8,14H2,1-4H3,(H,28,30,31).
What are the key properties of 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile has a molecular weight of 469.55 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 138571402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).