N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide

C36H32N6O2 — CID 59420969

IUPACN-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(COc1ccccn1)NC(=O)C1(c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2)CC1
InChIInChI=1S/C36H32N6O2/c1-24(23-44-32-6-2-3-17-38-32)41-33(43)36(15-16-36)28-9-7-25(8-10-28)27-20-39-34-40-21-31(42(34)22-27)35(13-14-35)29-11-12-30-26(19-29)5-4-18-37-30/h2-12,17-22,24H,13-16,23H2,1H3,(H,41,43)
InChIKeyHWOOGUVEYSIAKH-UHFFFAOYSA-N
MW580.69 g/mol
LogP6.03
Rot. Bonds9

About N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide

N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 59420969) has the molecular formula C36H32N6O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID59420969
Molecular FormulaC36H32N6O2
Molecular Weight580.69 g/mol
Exact Mass580.26
IUPAC NameN-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(COc1ccccn1)NC(=O)C1(c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2)CC1
InChIInChI=1S/C36H32N6O2/c1-24(23-44-32-6-2-3-17-38-32)41-33(43)36(15-16-36)28-9-7-25(8-10-28)27-20-39-34-40-21-31(42(34)22-27)35(13-14-35)29-11-12-30-26(19-29)5-4-18-37-30/h2-12,17-22,24H,13-16,23H2,1H3,(H,41,43)
InChIKeyHWOOGUVEYSIAKH-UHFFFAOYSA-N
XLogP6.03
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide (CID 59420969) is N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide is CC(COc1ccccn1)NC(=O)C1(c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2)CC1.
What is the InChIKey of N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is HWOOGUVEYSIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O2/c1-24(23-44-32-6-2-3-17-38-32)41-33(43)36(15-16-36)28-9-7-25(8-10-28)27-20-39-34-40-21-31(42(34)22-27)35(13-14-35)29-11-12-30-26(19-29)5-4-18-37-30/h2-12,17-22,24H,13-16,23H2,1H3,(H,41,43).
What are the key properties of N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide?
N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 580.69 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-yloxypropan-2-yl)-1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59420969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).