cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone

C26H29N7O2 — CID 71621332

IUPACcyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
SMILESCc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C)n2)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C26H29N7O2/c1-16-18(12-32-10-8-20(34)14-32)13-33(30-16)24-7-9-27-26(29-24)28-19-5-6-23-21(11-19)22(15-31(23)2)25(35)17-3-4-17/h5-7,9,11,13,15,17,20,34H,3-4,8,10,12,14H2,1-2H3,(H,27,28,29)/t20-/m1/s1
InChIKeyFNGJTJGYKVSXHA-HXUWFJFHSA-N
MW471.57 g/mol
LogP3.37
Rot. Bonds7

About cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone

cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone (PubChem CID 71621332) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
PubChem CID71621332
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Namecyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
SMILESCc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C)n2)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C26H29N7O2/c1-16-18(12-32-10-8-20(34)14-32)13-33(30-16)24-7-9-27-26(29-24)28-19-5-6-23-21(11-19)22(15-31(23)2)25(35)17-3-4-17/h5-7,9,11,13,15,17,20,34H,3-4,8,10,12,14H2,1-2H3,(H,27,28,29)/t20-/m1/s1
InChIKeyFNGJTJGYKVSXHA-HXUWFJFHSA-N
XLogP3.37
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone with MolForge

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Related Compounds

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CID 91754477
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
5-[[4-[4-[(3-hydroxyazetidin-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162662603
1-[5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]-2,2,2-trifluoroethanone
CID 162674900
1-[[3-Cyclopropyl-1-[2-[(1-ethylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol
CID 89845254
2,2,2-trifluoro-1-[5-[[6-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyridin-2-yl]amino]-1-methylindol-3-yl]ethanone
CID 89850703
Cevidoplenib Dimesylate
CID 137528229
5-Methyl-3-(2-methylphenyl)-1,3,4,9-tetrazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7(11),12,14-pentaene-8,10-dione
CID 76328448
3-[1-(3-Hydroxypropyl)indol-3-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727283
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-[(4-hydroxypiperidin-1-yl)methyl]-1H-indol-2-yl]methanone
CID 50938620
4-[4-[4-[1-(2-Hydroxyethyl)pyrazol-4-yl]imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]-2-propan-2-ylbenzamide
CID 67501045
1-[5-[[4-[4-[(3-Hydroxyazetidin-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]ethanone
CID 71698465

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?
The IUPAC name of cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone (CID 71621332) is cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone is Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C)n2)cc1CN1CC[C@@H](O)C1.
What is the InChIKey of cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?
The InChIKey is FNGJTJGYKVSXHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-16-18(12-32-10-8-20(34)14-32)13-33(30-16)24-7-9-27-26(29-24)28-19-5-6-23-21(11-19)22(15-31(23)2)25(35)17-3-4-17/h5-7,9,11,13,15,17,20,34H,3-4,8,10,12,14H2,1-2H3,(H,27,28,29)/t20-/m1/s1.
What are the key properties of cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?
cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone has a molecular weight of 471.57 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[[4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone is sourced from PubChem (CID 71621332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).