N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide

C21H25N7O2 — CID 158429175

About N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide

N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide (PubChem CID 158429175) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide
• PubChem CID: 158429175
• Molecular Formula: C21H25N7O2
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.21
• IUPAC Name: N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide
• SMILES: C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)C3CCNCC3)nc12
• InChI: InChI=1S/C21H25N7O2/c1-12-14(9-19(29)24-12)8-15-11-23-28-18(25-16-2-3-16)10-17(26-20(15)28)27-21(30)13-4-6-22-7-5-13/h8,10-11,13,16,22,25H,1-7,9H2,(H,24,29)(H,26,27,30)/b14-8+
• InChIKey: MHMUUBSJBFZWOM-RIYZIHGNSA-N
• XLogP: 1.66
• TPSA: 112.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide?

The IUPAC name of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide (CID 158429175) is N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)C3CCNCC3)nc12.

What is the InChIKey of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide?

The InChIKey is MHMUUBSJBFZWOM-RIYZIHGNSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-12-14(9-19(29)24-12)8-15-11-23-28-18(25-16-2-3-16)10-17(26-20(15)28)27-21(30)13-4-6-22-7-5-13/h8,10-11,13,16,22,25H,1-7,9H2,(H,24,29)(H,26,27,30)/b14-8+.

What are the key properties of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide?

N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 158429175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).