4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

C26H31FN8 — CID 162113533

IUPAC4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(Nc3ccc(CN4CCNCC4)cn3)ncc2F)cc2c(C(C)C)n(C)nc12
InChIInChI=1S/C26H31FN8/c1-16(2)25-20-12-19(11-17(3)23(20)33-34(25)4)24-21(27)14-30-26(32-24)31-22-6-5-18(13-29-22)15-35-9-7-28-8-10-35/h5-6,11-14,16,28H,7-10,15H2,1-4H3,(H,29,30,31,32)
InChIKeyCCRFSNJQGDVVBM-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.15
Rot. Bonds6

About 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 162113533) has the molecular formula C26H31FN8 and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID162113533
Molecular FormulaC26H31FN8
Molecular Weight474.59 g/mol
Exact Mass474.27
IUPAC Name4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(Nc3ccc(CN4CCNCC4)cn3)ncc2F)cc2c(C(C)C)n(C)nc12
InChIInChI=1S/C26H31FN8/c1-16(2)25-20-12-19(11-17(3)23(20)33-34(25)4)24-21(27)14-30-26(32-24)31-22-6-5-18(13-29-22)15-35-9-7-28-8-10-35/h5-6,11-14,16,28H,7-10,15H2,1-4H3,(H,29,30,31,32)
InChIKeyCCRFSNJQGDVVBM-UHFFFAOYSA-N
XLogP4.15
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-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

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 139357206
5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 154666451
4-(2,7-dimethyl-3-propan-2-ylbenzimidazol-5-yl)-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 130310819
N-[5-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-2-amine
CID 130301055
5-(2-bromo-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-ylindazole;5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine;methane
CID 158300256
butyl 4-[[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 139350923
5-fluoro-4-(5-fluoro-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine
CID 166120916
5-fluoro-N-[5-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-4-(2-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-2-amine
CID 130320295
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(piperidin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 145006854
5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]-4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine;hydrochloride
CID 156784264
6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine;hydrochloride
CID 169073919
4-(3-cyclopropyl-2,7-dimethylbenzimidazol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 130310821

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (CID 162113533) is 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2nc(Nc3ccc(CN4CCNCC4)cn3)ncc2F)cc2c(C(C)C)n(C)nc12.
What is the InChIKey of 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is CCRFSNJQGDVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8/c1-16(2)25-20-12-19(11-17(3)23(20)33-34(25)4)24-21(27)14-30-26(32-24)31-22-6-5-18(13-29-22)15-35-9-7-28-8-10-35/h5-6,11-14,16,28H,7-10,15H2,1-4H3,(H,29,30,31,32).
What are the key properties of 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 474.59 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethyl-3-propan-2-ylindazol-5-yl)-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 162113533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).