2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C22H26N6O — CID 135719780

IUPAC2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2
InChIInChI=1S/C22H26N6O/c29-21-19-8-13-26(15-18-7-5-12-28(18)17-6-4-9-23-14-17)16-20(19)24-22(25-21)27-10-2-1-3-11-27/h4-7,9,12,14H,1-3,8,10-11,13,15-16H2,(H,24,25,29)
InChIKeyMACIJELUNRWAEV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.50
Rot. Bonds4

About 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719780) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719780
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2
InChIInChI=1S/C22H26N6O/c29-21-19-8-13-26(15-18-7-5-12-28(18)17-6-4-9-23-14-17)16-20(19)24-22(25-21)27-10-2-1-3-11-27/h4-7,9,12,14H,1-3,8,10-11,13,15-16H2,(H,24,25,29)
InChIKeyMACIJELUNRWAEV-UHFFFAOYSA-N
XLogP2.50
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-4-yl-7-[(1-pyridin-4-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681246
2-pyridin-2-yl-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136691341
7-[(5-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680848
7-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136673329
2-methyl-7-(pyridin-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867243
7-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155900780
2-pyridin-3-yl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867269
7-[(4-morpholin-4-ylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681121
2-pyridin-4-yl-7-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681205
7-[(2-hydroxy-4-methoxyphenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674493
7-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681181
2-morpholin-4-yl-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719804

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719780) is 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2c1CCN(Cc1cccn1-c1cccnc1)C2.
What is the InChIKey of 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MACIJELUNRWAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-21-19-8-13-26(15-18-7-5-12-28(18)17-6-4-9-23-14-17)16-20(19)24-22(25-21)27-10-2-1-3-11-27/h4-7,9,12,14H,1-3,8,10-11,13,15-16H2,(H,24,25,29).
What are the key properties of 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).