4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28ClN7O2 — CID 134436376

IUPAC4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCO[C@H](C)COc1cc(-c2ccc(N3CCN(Cc4ccc(Cl)cn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28ClN7O2/c1-19(36-2)18-37-24-11-25(27-21(12-29)14-32-35(27)17-24)20-3-6-26(31-13-20)34-9-7-33(8-10-34)16-23-5-4-22(28)15-30-23/h3-6,11,13-15,17,19H,7-10,16,18H2,1-2H3/t19-/m1/s1
InChIKeyUHLUHCPGLONTMR-LJQANCHMSA-N
MW518.02 g/mol
LogP4.05
Rot. Bonds8

About 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436376) has the molecular formula C27H28ClN7O2 and a molecular weight of 518.02 g/mol. Its IUPAC name is 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436376
Molecular FormulaC27H28ClN7O2
Molecular Weight518.02 g/mol
Exact Mass517.20
IUPAC Name4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCO[C@H](C)COc1cc(-c2ccc(N3CCN(Cc4ccc(Cl)cn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28ClN7O2/c1-19(36-2)18-37-24-11-25(27-21(12-29)14-32-35(27)17-24)20-3-6-26(31-13-20)34-9-7-33(8-10-34)16-23-5-4-22(28)15-30-23/h3-6,11,13-15,17,19H,7-10,16,18H2,1-2H3/t19-/m1/s1
InChIKeyUHLUHCPGLONTMR-LJQANCHMSA-N
XLogP4.05
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.02
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436376) is 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CO[C@H](C)COc1cc(-c2ccc(N3CCN(Cc4ccc(Cl)cn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UHLUHCPGLONTMR-LJQANCHMSA-N. The full InChI is InChI=1S/C27H28ClN7O2/c1-19(36-2)18-37-24-11-25(27-21(12-29)14-32-35(27)17-24)20-3-6-26(31-13-20)34-9-7-33(8-10-34)16-23-5-4-22(28)15-30-23/h3-6,11,13-15,17,19H,7-10,16,18H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 518.02 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2R)-2-methoxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).