1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide

C25H20FN7O3 — CID 58701859

IUPAC1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cn3)ccc12
InChIInChI=1S/C25H20FN7O3/c26-21-15(18-8-4-14(12-29-18)32-10-2-1-3-20(32)34)6-7-16-22(25(28)35)30-33(23(16)21)13-5-9-19-17(11-13)24(27)31-36-19/h4-9,11-12H,1-3,10H2,(H2,27,31)(H2,28,35)
InChIKeyMYTLWXVYULBKNB-UHFFFAOYSA-N
MW485.48 g/mol
LogP3.57
Rot. Bonds4

About 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide

1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide (PubChem CID 58701859) has the molecular formula C25H20FN7O3 and a molecular weight of 485.48 g/mol. Its IUPAC name is 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide
PubChem CID58701859
Molecular FormulaC25H20FN7O3
Molecular Weight485.48 g/mol
Exact Mass485.16
IUPAC Name1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cn3)ccc12
InChIInChI=1S/C25H20FN7O3/c26-21-15(18-8-4-14(12-29-18)32-10-2-1-3-20(32)34)6-7-16-22(25(28)35)30-33(23(16)21)13-5-9-19-17(11-13)24(27)31-36-19/h4-9,11-12H,1-3,10H2,(H2,27,31)(H2,28,35)
InChIKeyMYTLWXVYULBKNB-UHFFFAOYSA-N
XLogP3.57
TPSA146.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide
CID 11497942
1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[1-hydroxy-5-(2-oxopiperidin-1-yl)pyridin-1-ium-2-yl]indazole-3-carboxamide;methanesulfonic acid
CID 161061795
1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[3-(dimethylamino)propyl-pyridin-4-ylamino]-2-fluorophenyl]-7-fluoroindazole-3-carboxamide
CID 11650704
1-[4-[3-[(3-amino-1,2-benzoxazol-5-yl)amino]-2-fluoro-4-(2,2,2-trifluoroethanimidoyl)phenyl]-3-fluorophenyl]piperidin-2-one
CID 143222830
1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
CID 11509879
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 85472322
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
ethane;1-(4-methylsulfanylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843507
1-(3-fluoro-4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
CID 86581650
1-(4-methylthiophen-2-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122482904

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide (CID 58701859) is 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cn3)ccc12.
What is the InChIKey of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide?
The InChIKey is MYTLWXVYULBKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O3/c26-21-15(18-8-4-14(12-29-18)32-10-2-1-3-20(32)34)6-7-16-22(25(28)35)30-33(23(16)21)13-5-9-19-17(11-13)24(27)31-36-19/h4-9,11-12H,1-3,10H2,(H2,27,31)(H2,28,35).
What are the key properties of 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide?
1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 485.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 58701859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).