7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

C28H24N8O2 — CID 70116605

IUPAC7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCNC(=O)c1cn2cc(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C28H24N8O2/c1-29-27(37)20-14-36-15-24(17-5-3-2-4-6-17)33-25(36)11-23(20)35-28(38)26-22(32-19-12-30-16-31-13-19)10-9-21(34-26)18-7-8-18/h2-6,9-16,18,32H,7-8H2,1H3,(H,29,37)(H,35,38)
InChIKeyAWTWODGJHGGACX-UHFFFAOYSA-N
MW504.55 g/mol
LogP4.42
Rot. Bonds7

About 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70116605) has the molecular formula C28H24N8O2 and a molecular weight of 504.55 g/mol. Its IUPAC name is 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70116605
Molecular FormulaC28H24N8O2
Molecular Weight504.55 g/mol
Exact Mass504.20
IUPAC Name7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCNC(=O)c1cn2cc(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C28H24N8O2/c1-29-27(37)20-14-36-15-24(17-5-3-2-4-6-17)33-25(36)11-23(20)35-28(38)26-22(32-19-12-30-16-31-13-19)10-9-21(34-26)18-7-8-18/h2-6,9-16,18,32H,7-8H2,1H3,(H,29,37)(H,35,38)
InChIKeyAWTWODGJHGGACX-UHFFFAOYSA-N
XLogP4.42
TPSA126.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (CID 70116605) is 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is CNC(=O)c1cn2cc(-c3ccccc3)nc2cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AWTWODGJHGGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O2/c1-29-27(37)20-14-36-15-24(17-5-3-2-4-6-17)33-25(36)11-23(20)35-28(38)26-22(32-19-12-30-16-31-13-19)10-9-21(34-26)18-7-8-18/h2-6,9-16,18,32H,7-8H2,1H3,(H,29,37)(H,35,38).
What are the key properties of 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70116605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).