5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine

C24H25FN6O3S — CID 71224751

IUPAC5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(C)cc(S(=O)(=O)C3CCOCC3)c2)ncc1-c1[nH]nc2c(F)cccc12
InChIInChI=1S/C24H25FN6O3S/c1-14-10-15(12-17(11-14)35(32,33)16-6-8-34-9-7-16)28-24-27-13-19(23(26-2)29-24)21-18-4-3-5-20(25)22(18)31-30-21/h3-5,10-13,16H,6-9H2,1-2H3,(H,30,31)(H2,26,27,28,29)
InChIKeyKRYCKVDPFJVROB-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.21
Rot. Bonds6

About 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine

5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 71224751) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
PubChem CID71224751
Molecular FormulaC24H25FN6O3S
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(C)cc(S(=O)(=O)C3CCOCC3)c2)ncc1-c1[nH]nc2c(F)cccc12
InChIInChI=1S/C24H25FN6O3S/c1-14-10-15(12-17(11-14)35(32,33)16-6-8-34-9-7-16)28-24-27-13-19(23(26-2)29-24)21-18-4-3-5-20(25)22(18)31-30-21/h3-5,10-13,16H,6-9H2,1-2H3,(H,30,31)(H2,26,27,28,29)
InChIKeyKRYCKVDPFJVROB-UHFFFAOYSA-N
XLogP4.21
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 71224442
5-(5-fluoro-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-N-methyl-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 67420758
5-(7-fluoro-2H-indazol-3-yl)-2-N-(3-methoxy-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 67419032
4-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
CID 53475876
5-(5-fluoro-1H-indazol-3-yl)-4-N-methyl-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 71224575
4-N-(5,6-difluoro-1H-indazol-3-yl)-2-N-(3-methyl-5-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 53469647
5-ethyl-4-(7-fluoro-2H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 145444200
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
3-[[4-[(2-cyclopropylsulfonyl-1,3-dihydroisoindol-5-yl)amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 69262841
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
sodium;3-cyclopropylsulfonyl-N-[[4-[[5-fluoro-2-[3-(propanoylsulfamoyl)anilino]pyrimidin-4-yl]amino]phenyl]methyl]propanamide;hydride
CID 173153041
3-[2-[4-methyl-2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenol
CID 69442412

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine (CID 71224751) is 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine is CNc1nc(Nc2cc(C)cc(S(=O)(=O)C3CCOCC3)c2)ncc1-c1[nH]nc2c(F)cccc12.
What is the InChIKey of 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is KRYCKVDPFJVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-14-10-15(12-17(11-14)35(32,33)16-6-8-34-9-7-16)28-24-27-13-19(23(26-2)29-24)21-18-4-3-5-20(25)22(18)31-30-21/h3-5,10-13,16H,6-9H2,1-2H3,(H,30,31)(H2,26,27,28,29).
What are the key properties of 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine?
5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 496.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2H-indazol-3-yl)-4-N-methyl-2-N-[3-methyl-5-(oxan-4-ylsulfonyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71224751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).