N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C24H23N7O — CID 89450927

IUPACN-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESN#CC1=NCC(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)C=C1
InChIInChI=1S/C24H23N7O/c25-12-18-5-6-19(14-27-18)28-24(32)23-21-11-16(4-7-22(21)29-30-23)17-10-20(15-26-13-17)31-8-2-1-3-9-31/h4-7,10-11,13,15,19H,1-3,8-9,14H2,(H,28,32)(H,29,30)
InChIKeyUOSHZKZRGANAMZ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.25
Rot. Bonds4

About N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450927) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450927
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESN#CC1=NCC(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)C=C1
InChIInChI=1S/C24H23N7O/c25-12-18-5-6-19(14-27-18)28-24(32)23-21-11-16(4-7-22(21)29-30-23)17-10-20(15-26-13-17)31-8-2-1-3-9-31/h4-7,10-11,13,15,19H,1-3,8-9,14H2,(H,28,32)(H,29,30)
InChIKeyUOSHZKZRGANAMZ-UHFFFAOYSA-N
XLogP3.25
TPSA110.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450927) is N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is N#CC1=NCC(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)C=C1.
What is the InChIKey of N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is UOSHZKZRGANAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c25-12-18-5-6-19(14-27-18)28-24(32)23-21-11-16(4-7-22(21)29-30-23)17-10-20(15-26-13-17)31-8-2-1-3-9-31/h4-7,10-11,13,15,19H,1-3,8-9,14H2,(H,28,32)(H,29,30).
What are the key properties of N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).