3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C19H27N5O3 — CID 137018411

IUPAC3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOC[C@@H]1CCCN1C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C19H27N5O3/c1-12-17(19(26)23-9-3-4-14(23)11-27-2)18-21-16(25)10-15(24(18)22-12)13-5-7-20-8-6-13/h10,13-14,20H,3-9,11H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyANJCKUVTEGMEEE-AWEZNQCLSA-N
MW373.46 g/mol
LogP1.05
Rot. Bonds4

About 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018411) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018411
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOC[C@@H]1CCCN1C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C19H27N5O3/c1-12-17(19(26)23-9-3-4-14(23)11-27-2)18-21-16(25)10-15(24(18)22-12)13-5-7-20-8-6-13/h10,13-14,20H,3-9,11H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyANJCKUVTEGMEEE-AWEZNQCLSA-N
XLogP1.05
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018411) is 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is COC[C@@H]1CCCN1C(=O)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ANJCKUVTEGMEEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-17(19(26)23-9-3-4-14(23)11-27-2)18-21-16(25)10-15(24(18)22-12)13-5-7-20-8-6-13/h10,13-14,20H,3-9,11H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 373.46 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).