3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C32H38N10O — CID 118164387

IUPAC3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCc1c(NC2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccccn23)nc1-c1ccnc(N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C32H38N10O/c1-22-30(23-10-14-34-28(19-23)40-17-11-25(12-18-40)39(2)3)37-32(26-20-35-27-8-4-5-16-42(26)27)38-31(22)36-24-7-6-15-41(21-24)29(43)9-13-33/h4-5,8,10,14,16,19-20,24-25H,6-7,9,11-12,15,17-18,21H2,1-3H3,(H,36,37,38)
InChIKeyHAYBSQJVZJQIOO-UHFFFAOYSA-N
MW578.73 g/mol
LogP4.01
Rot. Bonds7

About 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 118164387) has the molecular formula C32H38N10O and a molecular weight of 578.73 g/mol. Its IUPAC name is 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
PubChem CID118164387
Molecular FormulaC32H38N10O
Molecular Weight578.73 g/mol
Exact Mass578.32
IUPAC Name3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
SMILESCc1c(NC2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccccn23)nc1-c1ccnc(N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C32H38N10O/c1-22-30(23-10-14-34-28(19-23)40-17-11-25(12-18-40)39(2)3)37-32(26-20-35-27-8-4-5-16-42(26)27)38-31(22)36-24-7-6-15-41(21-24)29(43)9-13-33/h4-5,8,10,14,16,19-20,24-25H,6-7,9,11-12,15,17-18,21H2,1-3H3,(H,36,37,38)
InChIKeyHAYBSQJVZJQIOO-UHFFFAOYSA-N
XLogP4.01
TPSA118.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 118164387) is 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is Cc1c(NC2CCCN(C(=O)CC#N)C2)nc(-c2cnc3ccccn23)nc1-c1ccnc(N2CCC(N(C)C)CC2)c1.
What is the InChIKey of 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is HAYBSQJVZJQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N10O/c1-22-30(23-10-14-34-28(19-23)40-17-11-25(12-18-40)39(2)3)37-32(26-20-35-27-8-4-5-16-42(26)27)38-31(22)36-24-7-6-15-41(21-24)29(43)9-13-33/h4-5,8,10,14,16,19-20,24-25H,6-7,9,11-12,15,17-18,21H2,1-3H3,(H,36,37,38).
What are the key properties of 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?
3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 578.73 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]-2-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 118164387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).