N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C29H24FN7S — CID 145034544

IUPACN-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(CC)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(C(=C)C)s6)nccc5[nH]4)n[nH]c3cc2F)c1
InChIInChI=1S/C29H24FN7S/c1-5-16(4)33-18-10-17(13-31-14-18)19-11-20-23(12-21(19)30)36-37-26(20)29-34-22-8-9-32-28(27(22)35-29)25-7-6-24(38-25)15(2)3/h6-14,33H,2,4-5H2,1,3H3,(H,34,35)(H,36,37)
InChIKeyUNEGTFQVANGLRT-UHFFFAOYSA-N
MW521.63 g/mol
LogP7.80
Rot. Bonds7

About N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145034544) has the molecular formula C29H24FN7S and a molecular weight of 521.63 g/mol. Its IUPAC name is N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID145034544
Molecular FormulaC29H24FN7S
Molecular Weight521.63 g/mol
Exact Mass521.18
IUPAC NameN-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(CC)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(C(=C)C)s6)nccc5[nH]4)n[nH]c3cc2F)c1
InChIInChI=1S/C29H24FN7S/c1-5-16(4)33-18-10-17(13-31-14-18)19-11-20-23(12-21(19)30)36-37-26(20)29-34-22-8-9-32-28(27(22)35-29)25-7-6-24(38-25)15(2)3/h6-14,33H,2,4-5H2,1,3H3,(H,34,35)(H,36,37)
InChIKeyUNEGTFQVANGLRT-UHFFFAOYSA-N
XLogP7.80
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 57.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136936298
N-[5-[6-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 136936278
5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034254
N-pent-1-en-2-yl-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033070
N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145034759
N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136936012
5-[6-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
CID 145034577
N-but-1-en-2-yl-5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088452
N-[3-fluoro-5-[2-[6-fluoro-5-[5-(4-methylpent-1-en-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 145034725
N-[5-[6-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136936214
N-[5-[6-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136935962
N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137134998

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145034544) is N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(CC)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(C(=C)C)s6)nccc5[nH]4)n[nH]c3cc2F)c1.
What is the InChIKey of N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is UNEGTFQVANGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7S/c1-5-16(4)33-18-10-17(13-31-14-18)19-11-20-23(12-21(19)30)36-37-26(20)29-34-22-8-9-32-28(27(22)35-29)25-7-6-24(38-25)15(2)3/h6-14,33H,2,4-5H2,1,3H3,(H,34,35)(H,36,37).
What are the key properties of N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 521.63 g/mol, XLogP of 7.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145034544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).