[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone

C23H34N8O — CID 90196728

IUPAC[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)C3CC(C4CC4)NN3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C23H34N8O/c1-14-12-31-21(25-22(14)29-9-7-16(24)13-29)11-18(28-31)20-4-2-3-8-30(20)23(32)19-10-17(26-27-19)15-5-6-15/h11-12,15-17,19-20,26-27H,2-10,13,24H2,1H3/t16-,17?,19?,20-/m0/s1
InChIKeyMSRQCVUUESCKIZ-KTLDDFEXSA-N
MW438.58 g/mol
LogP1.27
Rot. Bonds4

About [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone (PubChem CID 90196728) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone
PubChem CID90196728
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)C3CC(C4CC4)NN3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C23H34N8O/c1-14-12-31-21(25-22(14)29-9-7-16(24)13-29)11-18(28-31)20-4-2-3-8-30(20)23(32)19-10-17(26-27-19)15-5-6-15/h11-12,15-17,19-20,26-27H,2-10,13,24H2,1H3/t16-,17?,19?,20-/m0/s1
InChIKeyMSRQCVUUESCKIZ-KTLDDFEXSA-N
XLogP1.27
TPSA103.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone (CID 90196728) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)C3CC(C4CC4)NN3)cc2nc1N1CC[C@H](N)C1.
What is the InChIKey of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone?
The InChIKey is MSRQCVUUESCKIZ-KTLDDFEXSA-N. The full InChI is InChI=1S/C23H34N8O/c1-14-12-31-21(25-22(14)29-9-7-16(24)13-29)11-18(28-31)20-4-2-3-8-30(20)23(32)19-10-17(26-27-19)15-5-6-15/h11-12,15-17,19-20,26-27H,2-10,13,24H2,1H3/t16-,17?,19?,20-/m0/s1.
What are the key properties of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone?
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone has a molecular weight of 438.58 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-cyclopropylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 90196728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).