N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide

C22H33N9O3 — CID 140573389

About N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide

N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide (PubChem CID 140573389) has the molecular formula C22H33N9O3 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide
• PubChem CID: 140573389
• Molecular Formula: C22H33N9O3
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.27
• IUPAC Name: N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide
• SMILES: CCC(=O)NC1NONC1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1
• InChI: InChI=1S/C22H33N9O3/c1-3-18(32)25-20-19(27-34-28-20)22(33)30-8-5-4-6-16(30)15-10-17-24-21(13(2)11-31(17)26-15)29-9-7-14(23)12-29/h10-11,14,16,19-20,27-28H,3-9,12,23H2,1-2H3,(H,25,32)/t14-,16-,19?,20?/m0/s1
• InChIKey: NGCMQNFWFYIRJJ-RJAKNQMXSA-N
• XLogP: -0.11
• TPSA: 142.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide?

The IUPAC name of N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide (CID 140573389) is N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide.

What is the SMILES notation for N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide?

The canonical SMILES for N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide is CCC(=O)NC1NONC1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.

What is the InChIKey of N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide?

The InChIKey is NGCMQNFWFYIRJJ-RJAKNQMXSA-N. The full InChI is InChI=1S/C22H33N9O3/c1-3-18(32)25-20-19(27-34-28-20)22(33)30-8-5-4-6-16(30)15-10-17-24-21(13(2)11-31(17)26-15)29-9-7-14(23)12-29/h10-11,14,16,19-20,27-28H,3-9,12,23H2,1-2H3,(H,25,32)/t14-,16-,19?,20?/m0/s1.

What are the key properties of N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide?

N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide has a molecular weight of 471.57 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazolidin-3-yl]propanamide is sourced from PubChem (CID 140573389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).