4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

C26H26ClN7 — CID 122584136

IUPAC4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCc1ncc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)n3ccnc23)cc1Cl
InChIInChI=1S/C26H26ClN7/c1-17-22(27)14-20(16-30-17)23-24(19-6-4-18(15-28)5-7-19)31-26(34-13-10-29-25(23)34)33-11-8-21(9-12-33)32(2)3/h4-7,10,13-14,16,21H,8-9,11-12H2,1-3H3
InChIKeyVHNYROAKJMGICU-UHFFFAOYSA-N
MW472.00 g/mol
LogP4.82
Rot. Bonds4

About 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (PubChem CID 122584136) has the molecular formula C26H26ClN7 and a molecular weight of 472.00 g/mol. Its IUPAC name is 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
PubChem CID122584136
Molecular FormulaC26H26ClN7
Molecular Weight472.00 g/mol
Exact Mass471.19
IUPAC Name4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCc1ncc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)n3ccnc23)cc1Cl
InChIInChI=1S/C26H26ClN7/c1-17-22(27)14-20(16-30-17)23-24(19-6-4-18(15-28)5-7-19)31-26(34-13-10-29-25(23)34)33-11-8-21(9-12-33)32(2)3/h4-7,10,13-14,16,21H,8-9,11-12H2,1-3H3
InChIKeyVHNYROAKJMGICU-UHFFFAOYSA-N
XLogP4.82
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.00
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (CID 122584136) is 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is Cc1ncc(-c2c(-c3ccc(C#N)cc3)nc(N3CCC(N(C)C)CC3)n3ccnc23)cc1Cl.
What is the InChIKey of 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is VHNYROAKJMGICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7/c1-17-22(27)14-20(16-30-17)23-24(19-6-4-18(15-28)5-7-19)31-26(34-13-10-29-25(23)34)33-11-8-21(9-12-33)32(2)3/h4-7,10,13-14,16,21H,8-9,11-12H2,1-3H3.
What are the key properties of 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 472.00 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(5-chloro-6-methyl-3-pyridinyl)-5-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 122584136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).