N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide

C27H29N7O4 — CID 157041840

IUPACN-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn([C@@H]5CCCOC5)c4=O)n(C)c3n2)ccn1
InChIInChI=1S/C27H29N7O4/c1-16(35)29-23-13-20(9-10-28-23)38-24-8-7-21-25(32-24)33(2)27(30-21)31-22-12-18(17-5-6-17)14-34(26(22)36)19-4-3-11-37-15-19/h7-10,12-14,17,19H,3-6,11,15H2,1-2H3,(H,30,31)(H,28,29,35)/t19-/m1/s1
InChIKeyBYSMHATWTSPLDX-LJQANCHMSA-N
MW515.57 g/mol
LogP4.25
Rot. Bonds7

About N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157041840) has the molecular formula C27H29N7O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID157041840
Molecular FormulaC27H29N7O4
Molecular Weight515.57 g/mol
Exact Mass515.23
IUPAC NameN-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn([C@@H]5CCCOC5)c4=O)n(C)c3n2)ccn1
InChIInChI=1S/C27H29N7O4/c1-16(35)29-23-13-20(9-10-28-23)38-24-8-7-21-25(32-24)33(2)27(30-21)31-22-12-18(17-5-6-17)14-34(26(22)36)19-4-3-11-37-15-19/h7-10,12-14,17,19H,3-6,11,15H2,1-2H3,(H,30,31)(H,28,29,35)/t19-/m1/s1
InChIKeyBYSMHATWTSPLDX-LJQANCHMSA-N
XLogP4.25
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide (CID 157041840) is N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn([C@@H]5CCCOC5)c4=O)n(C)c3n2)ccn1.
What is the InChIKey of N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is BYSMHATWTSPLDX-LJQANCHMSA-N. The full InChI is InChI=1S/C27H29N7O4/c1-16(35)29-23-13-20(9-10-28-23)38-24-8-7-21-25(32-24)33(2)27(30-21)31-22-12-18(17-5-6-17)14-34(26(22)36)19-4-3-11-37-15-19/h7-10,12-14,17,19H,3-6,11,15H2,1-2H3,(H,30,31)(H,28,29,35)/t19-/m1/s1.
What are the key properties of N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 515.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157041840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).