[4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone

C20H27N5O — CID 97447681

IUPAC[4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncn2c(C3CCN(CC4CC4)CC3)ccnc12)N1CCCC1
InChIInChI=1S/C20H27N5O/c26-20(24-9-1-2-10-24)18-19-21-8-5-17(25(19)14-22-18)16-6-11-23(12-7-16)13-15-3-4-15/h5,8,14-16H,1-4,6-7,9-13H2
InChIKeyLEWPJPGUTWYDLZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.55
Rot. Bonds4

About [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone

[4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97447681) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone
PubChem CID97447681
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncn2c(C3CCN(CC4CC4)CC3)ccnc12)N1CCCC1
InChIInChI=1S/C20H27N5O/c26-20(24-9-1-2-10-24)18-19-21-8-5-17(25(19)14-22-18)16-6-11-23(12-7-16)13-15-3-4-15/h5,8,14-16H,1-4,6-7,9-13H2
InChIKeyLEWPJPGUTWYDLZ-UHFFFAOYSA-N
XLogP2.55
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone (CID 97447681) is [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone is O=C(c1ncn2c(C3CCN(CC4CC4)CC3)ccnc12)N1CCCC1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LEWPJPGUTWYDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(24-9-1-2-10-24)18-19-21-8-5-17(25(19)14-22-18)16-6-11-23(12-7-16)13-15-3-4-15/h5,8,14-16H,1-4,6-7,9-13H2.
What are the key properties of [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone?
[4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 353.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)piperidin-4-yl]imidazo[1,5-a]pyrimidin-8-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97447681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).