N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine

C23H22N6O — CID 137381917

IUPACN-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCC(C)NCc1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2o1
InChIInChI=1S/C23H22N6O/c1-14(2)25-13-19-10-15-3-4-16(11-21(15)30-19)23-24-8-7-22(28-23)27-18-5-6-20-17(9-18)12-26-29-20/h3-12,14,25H,13H2,1-2H3,(H,26,29)(H,24,27,28)
InChIKeyHPWWOXWMRKRJAU-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.01
Rot. Bonds6

About N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine

N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 137381917) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID137381917
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCC(C)NCc1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2o1
InChIInChI=1S/C23H22N6O/c1-14(2)25-13-19-10-15-3-4-16(11-21(15)30-19)23-24-8-7-22(28-23)27-18-5-6-20-17(9-18)12-26-29-20/h3-12,14,25H,13H2,1-2H3,(H,26,29)(H,24,27,28)
InChIKeyHPWWOXWMRKRJAU-UHFFFAOYSA-N
XLogP5.01
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine with MolForge

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Related Compounds

N~4~-[7-(1-Benzofuran-2-Yl)-1h-Indazol-5-Yl]pyrimidine-2,4-Diamine
CID 44543658
N-(1-benzyl-1H-indazol-5-yl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4-amine
CID 21952114
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
N-(7-methyl-1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53319339
N-(1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53323287
N-(7-fluoro-1H-indazol-4-yl)-2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 53324074
4-[[4-cyclopentyloxy-5-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 117881278
4-[[6-amino-4-(5-methylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-N-(2-aminophenyl)benzamide
CID 168270437
4-[2-[6-amino-4-(5-methylfuran-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-(2-aminophenyl)benzamide
CID 168289182
1-[3-(2-methyl-1,3-benzoxazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044903

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine (CID 137381917) is N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine is CC(C)NCc1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2o1.
What is the InChIKey of N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is HPWWOXWMRKRJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-14(2)25-13-19-10-15-3-4-16(11-21(15)30-19)23-24-8-7-22(28-23)27-18-5-6-20-17(9-18)12-26-29-20/h3-12,14,25H,13H2,1-2H3,(H,26,29)(H,24,27,28).
What are the key properties of N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 398.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(propan-2-ylamino)methyl]-1-benzofuran-6-yl]pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 137381917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).