(2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C24H34N8O2 — CID 90234581

IUPAC(2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc3c(c(Nc4cc(C(C)C)[nH]n4)n2)CCC3)C1
InChIInChI=1S/C24H34N8O2/c1-14(2)19-12-21(30-29-19)27-22-17-6-4-7-18(17)26-24(28-22)32-10-5-8-20(32)23(34)25-16-9-11-31(13-16)15(3)33/h12,14,16,20H,4-11,13H2,1-3H3,(H,25,34)(H2,26,27,28,29,30)/t16?,20-/m0/s1
InChIKeyQORXOHMLTXLIRO-FZCLLLDFSA-N
MW466.59 g/mol
LogP2.26
Rot. Bonds6

About (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90234581) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID90234581
Molecular FormulaC24H34N8O2
Molecular Weight466.59 g/mol
Exact Mass466.28
IUPAC Name(2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc3c(c(Nc4cc(C(C)C)[nH]n4)n2)CCC3)C1
InChIInChI=1S/C24H34N8O2/c1-14(2)19-12-21(30-29-19)27-22-17-6-4-7-18(17)26-24(28-22)32-10-5-8-20(32)23(34)25-16-9-11-31(13-16)15(3)33/h12,14,16,20H,4-11,13H2,1-3H3,(H,25,34)(H2,26,27,28,29,30)/t16?,20-/m0/s1
InChIKeyQORXOHMLTXLIRO-FZCLLLDFSA-N
XLogP2.26
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 90234581) is (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc3c(c(Nc4cc(C(C)C)[nH]n4)n2)CCC3)C1.
What is the InChIKey of (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QORXOHMLTXLIRO-FZCLLLDFSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-14(2)19-12-21(30-29-19)27-22-17-6-4-7-18(17)26-24(28-22)32-10-5-8-20(32)23(34)25-16-9-11-31(13-16)15(3)33/h12,14,16,20H,4-11,13H2,1-3H3,(H,25,34)(H2,26,27,28,29,30)/t16?,20-/m0/s1.
What are the key properties of (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-acetylpyrrolidin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90234581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).