7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine

C24H29N5 — CID 175765026

IUPAC7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCCN1CCC(C2=CN3CC=C(c4ccc5c(cnn5C)c4)N=C3C(C)=C2)CC1
InChIInChI=1S/C24H29N5/c1-4-28-10-7-18(8-11-28)21-13-17(2)24-26-22(9-12-29(24)16-21)19-5-6-23-20(14-19)15-25-27(23)3/h5-6,9,13-16,18H,4,7-8,10-12H2,1-3H3
InChIKeyMGVNPHQAGPPKKN-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.20
Rot. Bonds3

About 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine

7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 175765026) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID175765026
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCCN1CCC(C2=CN3CC=C(c4ccc5c(cnn5C)c4)N=C3C(C)=C2)CC1
InChIInChI=1S/C24H29N5/c1-4-28-10-7-18(8-11-28)21-13-17(2)24-26-22(9-12-29(24)16-21)19-5-6-23-20(14-19)15-25-27(23)3/h5-6,9,13-16,18H,4,7-8,10-12H2,1-3H3
InChIKeyMGVNPHQAGPPKKN-UHFFFAOYSA-N
XLogP4.20
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine (CID 175765026) is 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine is CCN1CCC(C2=CN3CC=C(c4ccc5c(cnn5C)c4)N=C3C(C)=C2)CC1.
What is the InChIKey of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is MGVNPHQAGPPKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-4-28-10-7-18(8-11-28)21-13-17(2)24-26-22(9-12-29(24)16-21)19-5-6-23-20(14-19)15-25-27(23)3/h5-6,9,13-16,18H,4,7-8,10-12H2,1-3H3.
What are the key properties of 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine?
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 387.53 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 175765026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).