2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C34H30FN7O — CID 59420896

IUPAC2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCN(CCN(C)c1ccccn1)C(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C34H30FN7O/c1-40(31-7-3-4-14-37-31)16-17-41(2)32(43)27-10-8-23(19-28(27)35)25-20-38-33-39-21-30(42(33)22-25)34(12-13-34)26-9-11-29-24(18-26)6-5-15-36-29/h3-11,14-15,18-22H,12-13,16-17H2,1-2H3
InChIKeyOOONRDOOSMPOPM-UHFFFAOYSA-N
MW571.66 g/mol
LogP5.77
Rot. Bonds8

About 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420896) has the molecular formula C34H30FN7O and a molecular weight of 571.66 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420896
Molecular FormulaC34H30FN7O
Molecular Weight571.66 g/mol
Exact Mass571.25
IUPAC Name2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCN(CCN(C)c1ccccn1)C(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C34H30FN7O/c1-40(31-7-3-4-14-37-31)16-17-41(2)32(43)27-10-8-23(19-28(27)35)25-20-38-33-39-21-30(42(33)22-25)34(12-13-34)26-9-11-29-24(18-26)6-5-15-36-29/h3-11,14-15,18-22H,12-13,16-17H2,1-2H3
InChIKeyOOONRDOOSMPOPM-UHFFFAOYSA-N
XLogP5.77
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.66
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420896) is 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is CN(CCN(C)c1ccccn1)C(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is OOONRDOOSMPOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN7O/c1-40(31-7-3-4-14-37-31)16-17-41(2)32(43)27-10-8-23(19-28(27)35)25-20-38-33-39-21-30(42(33)22-25)34(12-13-34)26-9-11-29-24(18-26)6-5-15-36-29/h3-11,14-15,18-22H,12-13,16-17H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 571.66 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-[methyl(pyridin-2-yl)amino]ethyl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).