N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide

C27H19N7O — CID 59361854

IUPACN-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccccn1
InChIInChI=1S/C27H19N7O/c35-27(24-11-5-6-14-28-24)32-23-10-4-2-8-20(23)26-31-22-9-3-1-7-19(22)25(33-26)30-18-12-13-21-17(15-18)16-29-34-21/h1-16H,(H,29,34)(H,32,35)(H,30,31,33)
InChIKeyNUCDVCGEXITANH-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.56
Rot. Bonds5

About N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide

N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 59361854) has the molecular formula C27H19N7O and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID59361854
Molecular FormulaC27H19N7O
Molecular Weight457.50 g/mol
Exact Mass457.17
IUPAC NameN-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccccn1
InChIInChI=1S/C27H19N7O/c35-27(24-11-5-6-14-28-24)32-23-10-4-2-8-20(23)26-31-22-9-3-1-7-19(22)25(33-26)30-18-12-13-21-17(15-18)16-29-34-21/h1-16H,(H,29,34)(H,32,35)(H,30,31,33)
InChIKeyNUCDVCGEXITANH-UHFFFAOYSA-N
XLogP5.56
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 59361987
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
1-(benzylamino)-2-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]ethanol
CID 90763693
2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917
N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide
CID 89064619
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
CID 10156619
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 11950701
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
tert-butyl 3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]anilino]-3-oxopropanoate
CID 141159376
[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl] butanoate
CID 59361940
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
CID 11950700

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide (CID 59361854) is N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccccn1.
What is the InChIKey of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is NUCDVCGEXITANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O/c35-27(24-11-5-6-14-28-24)32-23-10-4-2-8-20(23)26-31-22-9-3-1-7-19(22)25(33-26)30-18-12-13-21-17(15-18)16-29-34-21/h1-16H,(H,29,34)(H,32,35)(H,30,31,33).
What are the key properties of N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide?
N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 59361854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).