[(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone

C23H25FN6O — CID 164624930

IUPAC[(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
SMILESCc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@@H]2C[C@@H]2F)nc1-c1cnn(C(C)C)c1
InChIInChI=1S/C23H25FN6O/c1-13(2)30-12-16(11-26-30)21-14(3)10-25-23(28-21)27-17-4-5-20-15(8-17)6-7-29(20)22(31)18-9-19(18)24/h4-5,8,10-13,18-19H,6-7,9H2,1-3H3,(H,25,27,28)/t18-,19+/m1/s1
InChIKeyREESVAJAJQEULD-MOPGFXCFSA-N
MW420.49 g/mol
LogP4.22
Rot. Bonds5

About [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone

[(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone (PubChem CID 164624930) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
PubChem CID164624930
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name[(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
SMILESCc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@@H]2C[C@@H]2F)nc1-c1cnn(C(C)C)c1
InChIInChI=1S/C23H25FN6O/c1-13(2)30-12-16(11-26-30)21-14(3)10-25-23(28-21)27-17-4-5-20-15(8-17)6-7-29(20)22(31)18-9-19(18)24/h4-5,8,10-13,18-19H,6-7,9H2,1-3H3,(H,25,27,28)/t18-,19+/m1/s1
InChIKeyREESVAJAJQEULD-MOPGFXCFSA-N
XLogP4.22
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone with MolForge

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Related Compounds

N-[3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylindol-5-yl]acetamide
CID 70688570
1-[4-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperazin-1-yl]ethanone
CID 22390480
N-(1-{4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl}-piperidin-4-yl)-acetamide
CID 22390556
N-[3-[[5-cyclopropyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225283
1-[1-(cyclopropylmethyl)-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372990
1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373156
6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 150682748
6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 152579380
3-[4-[5-Fluoro-2-[(1-methylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 163211931
3-[4-[2-[[1-(Cyclopropanecarbonyl)indol-5-yl]amino]-5-fluoropyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 163211971
1-[3-(1-m-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-propyl]-pyrrolidin-2-one
CID 1829290
1-(5-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid o-tolylamide
CID 3227286

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone (CID 164624930) is [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone is Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)[C@@H]2C[C@@H]2F)nc1-c1cnn(C(C)C)c1.
What is the InChIKey of [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is REESVAJAJQEULD-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-13(2)30-12-16(11-26-30)21-14(3)10-25-23(28-21)27-17-4-5-20-15(8-17)6-7-29(20)22(31)18-9-19(18)24/h4-5,8,10-13,18-19H,6-7,9H2,1-3H3,(H,25,27,28)/t18-,19+/m1/s1.
What are the key properties of [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
[(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 420.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-fluorocyclopropyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 164624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).