2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol

C24H35N7O — CID 22343463

IUPAC2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)ccnc32)n1
InChIInChI=1S/C24H35N7O/c1-15(2)19(25)13-30-11-8-18(9-12-30)28-24-29-22-16(3)7-10-26-23(22)31(24)14-20-21(32)6-5-17(4)27-20/h5-7,10,15,18-19,32H,8-9,11-14,25H2,1-4H3,(H,28,29)
InChIKeyAVBWOONGZWBZQI-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.06
Rot. Bonds7

About 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol

2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 22343463) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
PubChem CID22343463
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC Name2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)ccnc32)n1
InChIInChI=1S/C24H35N7O/c1-15(2)19(25)13-30-11-8-18(9-12-30)28-24-29-22-16(3)7-10-26-23(22)31(24)14-20-21(32)6-5-17(4)27-20/h5-7,10,15,18-19,32H,8-9,11-14,25H2,1-4H3,(H,28,29)
InChIKeyAVBWOONGZWBZQI-UHFFFAOYSA-N
XLogP3.06
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol (CID 22343463) is 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)ccnc32)n1.
What is the InChIKey of 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is AVBWOONGZWBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O/c1-15(2)19(25)13-30-11-8-18(9-12-30)28-24-29-22-16(3)7-10-26-23(22)31(24)14-20-21(32)6-5-17(4)27-20/h5-7,10,15,18-19,32H,8-9,11-14,25H2,1-4H3,(H,28,29).
What are the key properties of 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol?
2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 437.59 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(2-amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 22343463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).