N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C22H18N6O2 — CID 89445514

IUPACN-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C22H18N6O2/c29-21(13-3-4-13)25-18-7-9-24-12-19(18)26-22(30)20-16-10-14(5-6-17(16)27-28-20)15-2-1-8-23-11-15/h1-2,5-13H,3-4H2,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyPVYMDNOFPKQGNS-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.62
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 89445514) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID89445514
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC NameN-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C22H18N6O2/c29-21(13-3-4-13)25-18-7-9-24-12-19(18)26-22(30)20-16-10-14(5-6-17(16)27-28-20)15-2-1-8-23-11-15/h1-2,5-13H,3-4H2,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyPVYMDNOFPKQGNS-UHFFFAOYSA-N
XLogP3.62
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951573
4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-(6-carbamoyl-3-pyridinyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143526
Indole-based 6-membered lactam, 3a
CID 44143543
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 89445514) is N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(Nc1cnccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is PVYMDNOFPKQGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-21(13-3-4-13)25-18-7-9-24-12-19(18)26-22(30)20-16-10-14(5-6-17(16)27-28-20)15-2-1-8-23-11-15/h1-2,5-13H,3-4H2,(H,26,30)(H,27,28)(H,24,25,29).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 89445514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).