7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one

C23H25N5O — CID 123987030

IUPAC7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(/C2=C/CCC3=C(C=C2)N=CCC3)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C23H25N5O/c29-23-15-21(18-4-1-3-17-5-2-10-25-20(17)8-6-18)26-22-9-7-19(16-28(22)23)27-13-11-24-12-14-27/h4,6-10,15-16,24H,1-3,5,11-14H2/b8-6?,18-4+
InChIKeyVHYLNCZKDHCGSF-SSDBXYOCSA-N
MW387.49 g/mol
LogP2.96
Rot. Bonds2

About 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one

7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123987030) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID123987030
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(/C2=C/CCC3=C(C=C2)N=CCC3)nc2ccc(N3CCNCC3)cn12
InChIInChI=1S/C23H25N5O/c29-23-15-21(18-4-1-3-17-5-2-10-25-20(17)8-6-18)26-22-9-7-19(16-28(22)23)27-13-11-24-12-14-27/h4,6-10,15-16,24H,1-3,5,11-14H2/b8-6?,18-4+
InChIKeyVHYLNCZKDHCGSF-SSDBXYOCSA-N
XLogP2.96
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one (CID 123987030) is 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(/C2=C/CCC3=C(C=C2)N=CCC3)nc2ccc(N3CCNCC3)cn12.
What is the InChIKey of 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHYLNCZKDHCGSF-SSDBXYOCSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23-15-21(18-4-1-3-17-5-2-10-25-20(17)8-6-18)26-22-9-7-19(16-28(22)23)27-13-11-24-12-14-27/h4,6-10,15-16,24H,1-3,5,11-14H2/b8-6?,18-4+.
What are the key properties of 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one?
7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 387.49 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-[(7E)-3,4,5,6-tetrahydrocycloocta[b]pyridin-8-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123987030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).