4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid

C62H56Cl2N20O3 — CID 165007667

IUPAC4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid
SMILESCn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(N)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(NC(=O)c4ncccc4Cl)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.O=C(O)c1ncccc1Cl
InChIInChI=1S/C31H27ClN10O.C25H25N9.C6H4ClNO2/c1-40-16-21(13-37-40)19-7-24(29-20(11-33)12-38-41(29)17-19)26-14-36-27(15-35-26)42-22-5-18-6-23(42)10-31(8-18,9-22)39-30(43)28-25(32)3-2-4-34-28;1-32-13-18(10-30-32)16-4-21(24-17(8-26)9-31-33(24)14-16)22-11-29-23(12-28-22)34-19-2-15-3-20(34)7-25(27,5-15)6-19;7-4-2-1-3-8-5(4)6(9)10/h2-4,7,12-18,22-23H,5-6,8-10H2,1H3,(H,39,43);4,9-15,19-20H,2-3,5-7,27H2,1H3;1-3H,(H,9,10)
InChIKeyJFFHOUNWDDDFPM-UHFFFAOYSA-N
MW1200.17 g/mol
LogP8.78
Rot. Bonds9

About 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid

4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid (PubChem CID 165007667) has the molecular formula C62H56Cl2N20O3 and a molecular weight of 1200.17 g/mol. Its IUPAC name is 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid
PubChem CID165007667
Molecular FormulaC62H56Cl2N20O3
Molecular Weight1200.17 g/mol
Exact Mass1198.42
IUPAC Name4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid
SMILESCn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(N)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(NC(=O)c4ncccc4Cl)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.O=C(O)c1ncccc1Cl
InChIInChI=1S/C31H27ClN10O.C25H25N9.C6H4ClNO2/c1-40-16-21(13-37-40)19-7-24(29-20(11-33)12-38-41(29)17-19)26-14-36-27(15-35-26)42-22-5-18-6-23(42)10-31(8-18,9-22)39-30(43)28-25(32)3-2-4-34-28;1-32-13-18(10-30-32)16-4-21(24-17(8-26)9-31-33(24)14-16)22-11-29-23(12-28-22)34-19-2-15-3-20(34)7-25(27,5-15)6-19;7-4-2-1-3-8-5(4)6(9)10/h2-4,7,12-18,22-23H,5-6,8-10H2,1H3,(H,39,43);4,9-15,19-20H,2-3,5-7,27H2,1H3;1-3H,(H,9,10)
InChIKeyJFFHOUNWDDDFPM-UHFFFAOYSA-N
XLogP8.78
TPSA294.06 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.17
LogP ≤ 58.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid?
The IUPAC name of 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid (CID 165007667) is 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid is Cn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(N)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4C5CC6CC4CC(NC(=O)c4ncccc4Cl)(C6)C5)cn3)c3c(C#N)cnn3c2)cn1.O=C(O)c1ncccc1Cl.
What is the InChIKey of 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid?
The InChIKey is JFFHOUNWDDDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN10O.C25H25N9.C6H4ClNO2/c1-40-16-21(13-37-40)19-7-24(29-20(11-33)12-38-41(29)17-19)26-14-36-27(15-35-26)42-22-5-18-6-23(42)10-31(8-18,9-22)39-30(43)28-25(32)3-2-4-34-28;1-32-13-18(10-30-32)16-4-21(24-17(8-26)9-31-33(24)14-16)22-11-29-23(12-28-22)34-19-2-15-3-20(34)7-25(27,5-15)6-19;7-4-2-1-3-8-5(4)6(9)10/h2-4,7,12-18,22-23H,5-6,8-10H2,1H3,(H,39,43);4,9-15,19-20H,2-3,5-7,27H2,1H3;1-3H,(H,9,10).
What are the key properties of 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid?
4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid has a molecular weight of 1200.17 g/mol, XLogP of 8.78, 9 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 165007667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).