N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide

C26H29N7O — CID 118240431

About N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide

N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 118240431) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide
• PubChem CID: 118240431
• Molecular Formula: C26H29N7O
• Molecular Weight: 455.57 g/mol
• Exact Mass: 455.24
• IUPAC Name: N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NCc1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CNCC2
• InChI: InChI=1S/C26H29N7O/c1-17(2)25(34)29-14-19-9-6-10-23-20(19)16-30-33(23)26-31-22-11-12-27-15-21(22)24(32-26)28-13-18-7-4-3-5-8-18/h3-10,16-17,27H,11-15H2,1-2H3,(H,29,34)(H,28,31,32)
• InChIKey: YNLGTOLXSWFOQU-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 96.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.57
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide (CID 118240431) is N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide.

What is the SMILES notation for N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CNCC2.

What is the InChIKey of N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide?

The InChIKey is YNLGTOLXSWFOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-17(2)25(34)29-14-19-9-6-10-23-20(19)16-30-33(23)26-31-22-11-12-27-15-21(22)24(32-26)28-13-18-7-4-3-5-8-18/h3-10,16-17,27H,11-15H2,1-2H3,(H,29,34)(H,28,31,32).

What are the key properties of N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide?

N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 455.57 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 118240431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).