5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine

C23H23FN6O — CID 135376524

IUPAC5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine
SMILESCOc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(N(C)C)cnn13)C2
InChIInChI=1S/C23H23FN6O/c1-29(2)21-13-26-30-22(10-20(28-23(21)30)16-6-17(24)12-25-11-16)27-18-7-14-4-5-19(31-3)9-15(14)8-18/h4-6,9-13,18,27H,7-8H2,1-3H3/t18-/m0/s1
InChIKeyXXHUOQLWUKORCD-SFHVURJKSA-N
MW418.48 g/mol
LogP3.58
Rot. Bonds5

About 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine

5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine (PubChem CID 135376524) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine
PubChem CID135376524
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine
SMILESCOc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(N(C)C)cnn13)C2
InChIInChI=1S/C23H23FN6O/c1-29(2)21-13-26-30-22(10-20(28-23(21)30)16-6-17(24)12-25-11-16)27-18-7-14-4-5-19(31-3)9-15(14)8-18/h4-6,9-13,18,27H,7-8H2,1-3H3/t18-/m0/s1
InChIKeyXXHUOQLWUKORCD-SFHVURJKSA-N
XLogP3.58
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;sulfane
CID 162037322
ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol
CID 142460417
7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2R)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2R)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;(2E)-2-hydroxyimino-5-methoxy-3H-inden-1-one;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine;bis((2R)-5-methoxy-2,3-dihydro-1H-inden-2-amine);5-methoxy-2,3-dihydro-1H-inden-2-amine;5-methoxy-2,3-dihydroinden-1-one;3-methylbutyl nitrite
CID 172949327
methyl 5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135363412
5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158678850
5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 135376593
1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 135363335
2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 164952361
(3R)-8-fluoro-N-[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 146406312
(3R)-N-[5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 140944696
2-(5-fluoro-3-pyridinyl)-8-N,8-N-dimethyl-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
CID 135376701
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine (CID 135376524) is 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine is COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(N(C)C)cnn13)C2.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
The InChIKey is XXHUOQLWUKORCD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-29(2)21-13-26-30-22(10-20(28-23(21)30)16-6-17(24)12-25-11-16)27-18-7-14-4-5-19(31-3)9-15(14)8-18/h4-6,9-13,18,27H,7-8H2,1-3H3/t18-/m0/s1.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine?
5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine has a molecular weight of 418.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine is sourced from PubChem (CID 135376524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).