N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C21H18N8O2 — CID 176705477

IUPACN-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(-c2cccnc2)nc1C(=O)NC1CC1)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C21H18N8O2/c30-20(17-5-1-4-15(25-17)16-8-10-23-27-16)26-18-12-29(14-3-2-9-22-11-14)28-19(18)21(31)24-13-6-7-13/h1-5,8-13H,6-7H2,(H,23,27)(H,24,31)(H,26,30)
InChIKeyAJRVTKDZJUZXFC-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.20
Rot. Bonds6

About N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 176705477) has the molecular formula C21H18N8O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID176705477
Molecular FormulaC21H18N8O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(-c2cccnc2)nc1C(=O)NC1CC1)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C21H18N8O2/c30-20(17-5-1-4-15(25-17)16-8-10-23-27-16)26-18-12-29(14-3-2-9-22-11-14)28-19(18)21(31)24-13-6-7-13/h1-5,8-13H,6-7H2,(H,23,27)(H,24,31)(H,26,30)
InChIKeyAJRVTKDZJUZXFC-UHFFFAOYSA-N
XLogP2.20
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 176705477) is N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is O=C(Nc1cn(-c2cccnc2)nc1C(=O)NC1CC1)c1cccc(-c2ccn[nH]2)n1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is AJRVTKDZJUZXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O2/c30-20(17-5-1-4-15(25-17)16-8-10-23-27-16)26-18-12-29(14-3-2-9-22-11-14)28-19(18)21(31)24-13-6-7-13/h1-5,8-13H,6-7H2,(H,23,27)(H,24,31)(H,26,30).
What are the key properties of N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176705477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).