2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C34H28ClN7O — CID 59420956

IUPAC2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CCN(c2ccccn2)C1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1Cl
InChIInChI=1S/C34H28ClN7O/c35-28-17-22(6-8-27(28)32(43)40-26-10-15-41(21-26)31-5-1-2-13-37-31)24-18-38-33-39-19-30(42(33)20-24)34(11-12-34)25-7-9-29-23(16-25)4-3-14-36-29/h1-9,13-14,16-20,26H,10-12,15,21H2,(H,40,43)
InChIKeyQDHMEALQAAVOPS-UHFFFAOYSA-N
MW586.10 g/mol
LogP6.08
Rot. Bonds6

About 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420956) has the molecular formula C34H28ClN7O and a molecular weight of 586.10 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420956
Molecular FormulaC34H28ClN7O
Molecular Weight586.10 g/mol
Exact Mass585.20
IUPAC Name2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CCN(c2ccccn2)C1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1Cl
InChIInChI=1S/C34H28ClN7O/c35-28-17-22(6-8-27(28)32(43)40-26-10-15-41(21-26)31-5-1-2-13-37-31)24-18-38-33-39-19-30(42(33)20-24)34(11-12-34)25-7-9-29-23(16-25)4-3-14-36-29/h1-9,13-14,16-20,26H,10-12,15,21H2,(H,40,43)
InChIKeyQDHMEALQAAVOPS-UHFFFAOYSA-N
XLogP6.08
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.10
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420956) is 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NC1CCN(c2ccccn2)C1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1Cl.
What is the InChIKey of 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is QDHMEALQAAVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28ClN7O/c35-28-17-22(6-8-27(28)32(43)40-26-10-15-41(21-26)31-5-1-2-13-37-31)24-18-38-33-39-19-30(42(33)20-24)34(11-12-34)25-7-9-29-23(16-25)4-3-14-36-29/h1-9,13-14,16-20,26H,10-12,15,21H2,(H,40,43).
What are the key properties of 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 586.10 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).