[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

C18H25N5O — CID 56881261

IUPAC[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2c(ncnc2N2CCN3CCCC3C2)C1
InChIInChI=1S/C18H25N5O/c24-18(13-3-4-13)23-7-5-15-16(11-23)19-12-20-17(15)22-9-8-21-6-1-2-14(21)10-22/h12-14H,1-11H2
InChIKeyIQPJOEQFZDVXOF-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.06
Rot. Bonds2

About [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (PubChem CID 56881261) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
PubChem CID56881261
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2c(ncnc2N2CCN3CCCC3C2)C1
InChIInChI=1S/C18H25N5O/c24-18(13-3-4-13)23-7-5-15-16(11-23)19-12-20-17(15)22-9-8-21-6-1-2-14(21)10-22/h12-14H,1-11H2
InChIKeyIQPJOEQFZDVXOF-UHFFFAOYSA-N
XLogP1.06
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The IUPAC name of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (CID 56881261) is [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2c(ncnc2N2CCN3CCCC3C2)C1.
What is the InChIKey of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The InChIKey is IQPJOEQFZDVXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18(13-3-4-13)23-7-5-15-16(11-23)19-12-20-17(15)22-9-8-21-6-1-2-14(21)10-22/h12-14H,1-11H2.
What are the key properties of [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone has a molecular weight of 327.43 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is sourced from PubChem (CID 56881261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).