N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C19H27N5O3 — CID 46956555

IUPACN-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cc2nc(C(NC(=O)CCCN3CCCC3=O)C(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C19H27N5O3/c1-12(2)19(14-11-18(27)24-15(20-14)10-13(3)22-24)21-16(25)6-4-8-23-9-5-7-17(23)26/h10-12,19,22H,4-9H2,1-3H3,(H,21,25)
InChIKeyDZQPEWOABGSQTK-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.55
Rot. Bonds7

About N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 46956555) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID46956555
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cc2nc(C(NC(=O)CCCN3CCCC3=O)C(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C19H27N5O3/c1-12(2)19(14-11-18(27)24-15(20-14)10-13(3)22-24)21-16(25)6-4-8-23-9-5-7-17(23)26/h10-12,19,22H,4-9H2,1-3H3,(H,21,25)
InChIKeyDZQPEWOABGSQTK-UHFFFAOYSA-N
XLogP1.55
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 46956555) is N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1cc2nc(C(NC(=O)CCCN3CCCC3=O)C(C)C)cc(=O)n2[nH]1.
What is the InChIKey of N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is DZQPEWOABGSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12(2)19(14-11-18(27)24-15(20-14)10-13(3)22-24)21-16(25)6-4-8-23-9-5-7-17(23)26/h10-12,19,22H,4-9H2,1-3H3,(H,21,25).
What are the key properties of N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 373.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 46956555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).