2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H27N5O3 — CID 98240658

IUPAC2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC([C@H](C)N4CCOCC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C19H27N5O3/c1-13-11-17-20-12-16(19(26)24(17)21-13)18(25)23-5-3-15(4-6-23)14(2)22-7-9-27-10-8-22/h11-12,14-15,21H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyIQOIJQSTOJCPNZ-AWEZNQCLSA-N
MW373.46 g/mol
LogP0.90
Rot. Bonds3

About 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98240658) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98240658
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC([C@H](C)N4CCOCC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C19H27N5O3/c1-13-11-17-20-12-16(19(26)24(17)21-13)18(25)23-5-3-15(4-6-23)14(2)22-7-9-27-10-8-22/h11-12,14-15,21H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyIQOIJQSTOJCPNZ-AWEZNQCLSA-N
XLogP0.90
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98240658) is 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCC([C@H](C)N4CCOCC4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IQOIJQSTOJCPNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-11-17-20-12-16(19(26)24(17)21-13)18(25)23-5-3-15(4-6-23)14(2)22-7-9-27-10-8-22/h11-12,14-15,21H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 373.46 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(1S)-1-morpholin-4-ylethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98240658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).