[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone

C26H23N5O2 — CID 177374054

IUPAC[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCOCC1
InChIInChI=1S/C26H23N5O2/c32-26(30-13-15-33-16-14-30)20-7-5-18(6-8-20)21-9-10-22-24(29-21)25(28-17-27-22)31-12-11-19-3-1-2-4-23(19)31/h1-10,17H,11-16H2
InChIKeyIPJHWPFFKVRFPR-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.86
Rot. Bonds3

About [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 177374054) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID177374054
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCOCC1
InChIInChI=1S/C26H23N5O2/c32-26(30-13-15-33-16-14-30)20-7-5-18(6-8-20)21-9-10-22-24(29-21)25(28-17-27-22)31-12-11-19-3-1-2-4-23(19)31/h1-10,17H,11-16H2
InChIKeyIPJHWPFFKVRFPR-UHFFFAOYSA-N
XLogP3.86
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 177374054) is [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3ncnc(N4CCc5ccccc54)c3n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is IPJHWPFFKVRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-26(30-13-15-33-16-14-30)20-7-5-18(6-8-20)21-9-10-22-24(29-21)25(28-17-27-22)31-12-11-19-3-1-2-4-23(19)31/h1-10,17H,11-16H2.
What are the key properties of [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 437.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177374054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).