6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H29N5O — CID 46072507

IUPAC6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cccc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1
InChIInChI=1S/C24H29N5O/c1-27-13-8-9-19(27)17-28-16-12-22-21(18-28)23(30-20-10-4-2-5-11-20)26-24(25-22)29-14-6-3-7-15-29/h2,4-5,8-11,13H,3,6-7,12,14-18H2,1H3
InChIKeyUOPJKAZGOVBRSM-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.16
Rot. Bonds5

About 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46072507) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID46072507
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cccc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1
InChIInChI=1S/C24H29N5O/c1-27-13-8-9-19(27)17-28-16-12-22-21(18-28)23(30-20-10-4-2-5-11-20)26-24(25-22)29-14-6-3-7-15-29/h2,4-5,8-11,13H,3,6-7,12,14-18H2,1H3
InChIKeyUOPJKAZGOVBRSM-UHFFFAOYSA-N
XLogP4.16
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-phenoxy-
CID 217674
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136
4-Phenoxy-2-pyridin-2-ylquinazoline
CID 930617
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46072507) is 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1cccc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1.
What is the InChIKey of 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UOPJKAZGOVBRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-27-13-8-9-19(27)17-28-16-12-22-21(18-28)23(30-20-10-4-2-5-11-20)26-24(25-22)29-14-6-3-7-15-29/h2,4-5,8-11,13H,3,6-7,12,14-18H2,1H3.
What are the key properties of 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 403.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrrol-2-yl)methyl]-4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46072507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).