N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine

C23H25FN8O2 — CID 138593253

IUPACN-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(C[C@H]2CCCN2)c2ncc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C23H25FN8O2/c1-31-12-14(9-28-31)17-10-26-18-11-27-23(30-22(18)29-17)32(13-15-5-4-6-25-15)19-7-16(33-2)8-20(34-3)21(19)24/h7-12,15,25H,4-6,13H2,1-3H3/t15-/m1/s1
InChIKeyMNPBXAZCDAOWFP-OAHLLOKOSA-N
MW464.51 g/mol
LogP2.87
Rot. Bonds7

About N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine

N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine (PubChem CID 138593253) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine
PubChem CID138593253
Molecular FormulaC23H25FN8O2
Molecular Weight464.51 g/mol
Exact Mass464.21
IUPAC NameN-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(C[C@H]2CCCN2)c2ncc3ncc(-c4cnn(C)c4)nc3n2)c1
InChIInChI=1S/C23H25FN8O2/c1-31-12-14(9-28-31)17-10-26-18-11-27-23(30-22(18)29-17)32(13-15-5-4-6-25-15)19-7-16(33-2)8-20(34-3)21(19)24/h7-12,15,25H,4-6,13H2,1-3H3/t15-/m1/s1
InChIKeyMNPBXAZCDAOWFP-OAHLLOKOSA-N
XLogP2.87
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2-fluoro-3,5-dimethoxyphenyl)-N-[(1-methylimidazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 135160876
N-(2-fluoro-3,5-dimethoxyphenyl)-N-(4H-imidazol-2-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 147127291
N-[(5-ethyl-1H-imidazol-2-yl)methyl]-N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
CID 135161046
N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 135157504
4-[(2-fluoro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-N,N,5-trimethylimidazole-1-sulfinamide
CID 135160759
N'-(2-fluoro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
CID 126735620
5-[(3-ethyl-2-fluoro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)methyl]-1-methylpyrrolidin-2-one
CID 135160885
N-(3-ethyl-2-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-3-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 135160908
5-[(N-[3-[6-(azetidin-3-ylmethyl)-3-pyridinyl]pyrido[2,3-b]pyrazin-6-yl]-2-fluoro-3,5-dimethoxyanilino)methyl]pyrrolidin-2-one
CID 135160946
2-[(3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)pteridin-2-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide
CID 72550094
2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol
CID 135161071
2-(2-fluoro-3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl methanesulfonate
CID 126735671

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine?
The IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine (CID 138593253) is N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine.
What is the SMILES notation for N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine?
The canonical SMILES for N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine is COc1cc(OC)c(F)c(N(C[C@H]2CCCN2)c2ncc3ncc(-c4cnn(C)c4)nc3n2)c1.
What is the InChIKey of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine?
The InChIKey is MNPBXAZCDAOWFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25FN8O2/c1-31-12-14(9-28-31)17-10-26-18-11-27-23(30-22(18)29-17)32(13-15-5-4-6-25-15)19-7-16(33-2)8-20(34-3)21(19)24/h7-12,15,25H,4-6,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine?
N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine has a molecular weight of 464.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-[[(2R)-pyrrolidin-2-yl]methyl]pteridin-2-amine is sourced from PubChem (CID 138593253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).