(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone

C26H30N8O — CID 162748461

IUPAC(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc6c(cnn6C)c5)CC4)ncnc3c2)CC1
InChIInChI=1S/C26H30N8O/c1-31-9-11-33(12-10-31)21-14-22-25(27-16-21)24(29-17-28-22)18-5-7-34(8-6-18)26(35)19-3-4-23-20(13-19)15-30-32(23)2/h3-4,13-18H,5-12H2,1-2H3
InChIKeyRDSXMNMSAMKFGL-UHFFFAOYSA-N
MW470.58 g/mol
LogP2.68
Rot. Bonds3

About (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone

(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 162748461) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID162748461
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc6c(cnn6C)c5)CC4)ncnc3c2)CC1
InChIInChI=1S/C26H30N8O/c1-31-9-11-33(12-10-31)21-14-22-25(27-16-21)24(29-17-28-22)18-5-7-34(8-6-18)26(35)19-3-4-23-20(13-19)15-30-32(23)2/h3-4,13-18H,5-12H2,1-2H3
InChIKeyRDSXMNMSAMKFGL-UHFFFAOYSA-N
XLogP2.68
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 162748462
[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 162748547
isoquinolin-3-yl-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748362
(5-ethylthiophen-2-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748537
[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)thiophen-2-yl]methanone
CID 162748542
(2Z)-4-methyl-1-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-2-methylsulfanylpenta-2,4-dien-1-one
CID 162748724
[4-[7-(4-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139473519
[4-(7-hydroxypyrido[3,2-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466471
1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 121497364
7-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551688
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
CID 171698643

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone (CID 162748461) is (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone is CN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc6c(cnn6C)c5)CC4)ncnc3c2)CC1.
What is the InChIKey of (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is RDSXMNMSAMKFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-31-9-11-33(12-10-31)21-14-22-25(27-16-21)24(29-17-28-22)18-5-7-34(8-6-18)26(35)19-3-4-23-20(13-19)15-30-32(23)2/h3-4,13-18H,5-12H2,1-2H3.
What are the key properties of (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone?
(1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 470.58 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-5-yl)-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162748461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).