2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine

C32H32FN7 — CID 145035906

IUPAC2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine
SMILESCC1=C(c2nn(C)c3cc(F)c(-c4cncc(NC(C)C)c4)cc23)NC2=C(C1)C(c1cccnc1)=CC=C(N)C2
InChIInChI=1S/C32H32FN7/c1-18(2)37-23-11-21(16-36-17-23)25-13-27-30(14-28(25)33)40(4)39-32(27)31-19(3)10-26-24(20-6-5-9-35-15-20)8-7-22(34)12-29(26)38-31/h5-9,11,13-18,37-38H,10,12,34H2,1-4H3
InChIKeyUUCVRUYXVXNLPT-UHFFFAOYSA-N
MW533.66 g/mol
LogP6.30
Rot. Bonds5

About 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine

2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine (PubChem CID 145035906) has the molecular formula C32H32FN7 and a molecular weight of 533.66 g/mol. Its IUPAC name is 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine.

Molecular Properties

Compound Name2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine
PubChem CID145035906
Molecular FormulaC32H32FN7
Molecular Weight533.66 g/mol
Exact Mass533.27
IUPAC Name2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine
SMILESCC1=C(c2nn(C)c3cc(F)c(-c4cncc(NC(C)C)c4)cc23)NC2=C(C1)C(c1cccnc1)=CC=C(N)C2
InChIInChI=1S/C32H32FN7/c1-18(2)37-23-11-21(16-36-17-23)25-13-27-30(14-28(25)33)40(4)39-32(27)31-19(3)10-26-24(20-6-5-9-35-15-20)8-7-22(34)12-29(26)38-31/h5-9,11,13-18,37-38H,10,12,34H2,1-4H3
InChIKeyUUCVRUYXVXNLPT-UHFFFAOYSA-N
XLogP6.30
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.66
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine 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

2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-8-(furan-3-yl)-3,4-dihydrocyclohepta[d]imidazol-5-amine
CID 145036492
N-[5-[3-[3-amino-5-(2-fluorophenyl)-1,4-dihydro-1,7-naphthyridin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145308120
N-[5-[3-(5-amino-8-pyridin-3-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-4-fluoro-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145036206
3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80521367
5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134669
5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134829
N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137489194
1-[5-[2-[6-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-1,8-dihydrocyclohepta[d]imidazol-4-yl]thiophen-2-yl]ethanone
CID 145036663
N-propan-2-yl-5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110153
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137116351
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
2-[6-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-3-yl]-3,4,7,8-tetrahydrocyclohepta[d]imidazole
CID 145035811

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine?
The IUPAC name of 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine (CID 145035906) is 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine.
What is the SMILES notation for 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine?
The canonical SMILES for 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine is CC1=C(c2nn(C)c3cc(F)c(-c4cncc(NC(C)C)c4)cc23)NC2=C(C1)C(c1cccnc1)=CC=C(N)C2.
What is the InChIKey of 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine?
The InChIKey is UUCVRUYXVXNLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7/c1-18(2)37-23-11-21(16-36-17-23)25-13-27-30(14-28(25)33)40(4)39-32(27)31-19(3)10-26-24(20-6-5-9-35-15-20)8-7-22(34)12-29(26)38-31/h5-9,11,13-18,37-38H,10,12,34H2,1-4H3.
What are the key properties of 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine?
2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine has a molecular weight of 533.66 g/mol, XLogP of 6.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]indazol-3-yl]-3-methyl-5-pyridin-3-yl-4,9-dihydro-1H-cyclohepta[b]pyridin-8-amine is sourced from PubChem (CID 145035906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).