6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C25H33N5O3 — CID 138634502

About 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 138634502) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 138634502
• Molecular Formula: C25H33N5O3
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.26
• IUPAC Name: 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cn2c(n1)CCC(NC(=O)C1CCC1)C2
• InChI: InChI=1S/C25H33N5O3/c31-21(15-29-11-10-17-4-1-2-5-19(17)13-29)12-26-25(33)22-16-30-14-20(8-9-23(30)28-22)27-24(32)18-6-3-7-18/h1-2,4-5,16,18,20-21,31H,3,6-15H2,(H,26,33)(H,27,32)/t20?,21-/m0/s1
• InChIKey: VVNCVMJZXVEXJP-LBAQZLPGSA-N
• XLogP: 1.26
• TPSA: 99.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 138634502) is 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cn2c(n1)CCC(NC(=O)C1CCC1)C2.

What is the InChIKey of 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is VVNCVMJZXVEXJP-LBAQZLPGSA-N. The full InChI is InChI=1S/C25H33N5O3/c31-21(15-29-11-10-17-4-1-2-5-19(17)13-29)12-26-25(33)22-16-30-14-20(8-9-23(30)28-22)27-24(32)18-6-3-7-18/h1-2,4-5,16,18,20-21,31H,3,6-15H2,(H,26,33)(H,27,32)/t20?,21-/m0/s1.

What are the key properties of 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?

6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 138634502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).