(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide

C24H22FN7O — CID 142460267

IUPAC(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2cncc(F)c2)nc2c(C)cnn12
InChIInChI=1S/C24H22FN7O/c1-14-10-29-32-22(9-20(31-23(14)32)16-7-17(25)13-27-11-16)30-21(24(33)26-2)8-15-12-28-19-6-4-3-5-18(15)19/h3-7,9-13,21,28,30H,8H2,1-2H3,(H,26,33)/t21-/m1/s1
InChIKeyGXMCYYWDRPHQCH-OAQYLSRUSA-N
MW443.49 g/mol
LogP3.49
Rot. Bonds6

About (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide

(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 142460267) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID142460267
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2cncc(F)c2)nc2c(C)cnn12
InChIInChI=1S/C24H22FN7O/c1-14-10-29-32-22(9-20(31-23(14)32)16-7-17(25)13-27-11-16)30-21(24(33)26-2)8-15-12-28-19-6-4-3-5-18(15)19/h3-7,9-13,21,28,30H,8H2,1-2H3,(H,26,33)/t21-/m1/s1
InChIKeyGXMCYYWDRPHQCH-OAQYLSRUSA-N
XLogP3.49
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide with MolForge

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Related Compounds

5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 140944726
5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 135376544
(1R)-2-[[5-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(1H-indol-3-yl)ethanol;sulfane
CID 158738449
[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
CID 135376370
3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol
CID 140944585
tert-butyl 4-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 135376549
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
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
N-[2-(1H-indol-3-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460354
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
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 40987693
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 142460267) is (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide is CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2cncc(F)c2)nc2c(C)cnn12.
What is the InChIKey of (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is GXMCYYWDRPHQCH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-14-10-29-32-22(9-20(31-23(14)32)16-7-17(25)13-27-11-16)30-21(24(33)26-2)8-15-12-28-19-6-4-3-5-18(15)19/h3-7,9-13,21,28,30H,8H2,1-2H3,(H,26,33)/t21-/m1/s1.
What are the key properties of (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide?
(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 443.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 142460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).