3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C20H24N4O3 — CID 72896801

IUPAC3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C20H24N4O3/c25-17-2-1-7-24-18(17)21-8-16(20(24)27)19(26)23-11-14-5-6-15(12-23)22(10-14)9-13-3-4-13/h1-2,7-8,13-15,25H,3-6,9-12H2/t14-,15-/m1/s1
InChIKeyMVGDAERCNVDIEX-HUUCEWRRSA-N
MW368.44 g/mol
LogP1.35
Rot. Bonds3

About 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 72896801) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID72896801
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C20H24N4O3/c25-17-2-1-7-24-18(17)21-8-16(20(24)27)19(26)23-11-14-5-6-15(12-23)22(10-14)9-13-3-4-13/h1-2,7-8,13-15,25H,3-6,9-12H2/t14-,15-/m1/s1
InChIKeyMVGDAERCNVDIEX-HUUCEWRRSA-N
XLogP1.35
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 72896801) is 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2.
What is the InChIKey of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MVGDAERCNVDIEX-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-17-2-1-7-24-18(17)21-8-16(20(24)27)19(26)23-11-14-5-6-15(12-23)22(10-14)9-13-3-4-13/h1-2,7-8,13-15,25H,3-6,9-12H2/t14-,15-/m1/s1.
What are the key properties of 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.44 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72896801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).