4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine

C18H18F2N6 — CID 97134827

IUPAC4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc(N)n1
InChIInChI=1S/C18H18F2N6/c1-10-7-17(25-18(21)23-10)24-14-3-2-4-15-12(14)9-22-26(15)16-6-5-11(19)8-13(16)20/h5-9,14H,2-4H2,1H3,(H3,21,23,24,25)/t14-/m0/s1
InChIKeyYMERZHVLMJMQNE-AWEZNQCLSA-N
MW356.38 g/mol
LogP3.32
Rot. Bonds3

About 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine

4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine (PubChem CID 97134827) has the molecular formula C18H18F2N6 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine
PubChem CID97134827
Molecular FormulaC18H18F2N6
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc(N)n1
InChIInChI=1S/C18H18F2N6/c1-10-7-17(25-18(21)23-10)24-14-3-2-4-15-12(14)9-22-26(15)16-6-5-11(19)8-13(16)20/h5-9,14H,2-4H2,1H3,(H3,21,23,24,25)/t14-/m0/s1
InChIKeyYMERZHVLMJMQNE-AWEZNQCLSA-N
XLogP3.32
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine 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

4-N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine
CID 70751501
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 45230661
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 25283597
N-(2,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254589
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45202984
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-4-ylpropanamide
CID 24817490
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 42308688
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 42094250
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide
CID 42383497
2-chloro-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-fluorobenzamide
CID 26323589
2-(1,3-benzodioxol-5-yl)-N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 25279806
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine (CID 97134827) is 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine is Cc1cc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc(N)n1.
What is the InChIKey of 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is YMERZHVLMJMQNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18F2N6/c1-10-7-17(25-18(21)23-10)24-14-3-2-4-15-12(14)9-22-26(15)16-6-5-11(19)8-13(16)20/h5-9,14H,2-4H2,1H3,(H3,21,23,24,25)/t14-/m0/s1.
What are the key properties of 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine?
4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 356.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 97134827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).