4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H27N7O2 — CID 154951019

IUPAC4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnn(C3CCN(C(=O)[C@@H]4CCNC4)CC3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C23H27N7O2/c1-15-20(17-9-21(32-2)22-18(10-24)12-26-29(22)14-17)13-27-30(15)19-4-7-28(8-5-19)23(31)16-3-6-25-11-16/h9,12-14,16,19,25H,3-8,11H2,1-2H3/t16-/m1/s1
InChIKeyQIWLUIPWGAIHLU-MRXNPFEDSA-N
MW433.52 g/mol
LogP2.16
Rot. Bonds4

About 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 154951019) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID154951019
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnn(C3CCN(C(=O)[C@@H]4CCNC4)CC3)c2C)cn2ncc(C#N)c12
InChIInChI=1S/C23H27N7O2/c1-15-20(17-9-21(32-2)22-18(10-24)12-26-29(22)14-17)13-27-30(15)19-4-7-28(8-5-19)23(31)16-3-6-25-11-16/h9,12-14,16,19,25H,3-8,11H2,1-2H3/t16-/m1/s1
InChIKeyQIWLUIPWGAIHLU-MRXNPFEDSA-N
XLogP2.16
TPSA100.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 154951019) is 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2cnn(C3CCN(C(=O)[C@@H]4CCNC4)CC3)c2C)cn2ncc(C#N)c12.
What is the InChIKey of 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QIWLUIPWGAIHLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-20(17-9-21(32-2)22-18(10-24)12-26-29(22)14-17)13-27-30(15)19-4-7-28(8-5-19)23(31)16-3-6-25-11-16/h9,12-14,16,19,25H,3-8,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 433.52 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[5-methyl-1-[1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 154951019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).