[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone

C25H23N5O2 — CID 137367126

IUPAC[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)c(-c1ncc(-c3ccccc3)cn1)nn2C1CC1)N1CCOCC1
InChIInChI=1S/C25H23N5O2/c31-25(29-10-12-32-13-11-29)18-6-9-22-21(14-18)23(28-30(22)20-7-8-20)24-26-15-19(16-27-24)17-4-2-1-3-5-17/h1-6,9,14-16,20H,7-8,10-13H2
InChIKeyCBTWGSSWZCUYGF-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.97
Rot. Bonds4

About [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone

[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 137367126) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
PubChem CID137367126
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)c(-c1ncc(-c3ccccc3)cn1)nn2C1CC1)N1CCOCC1
InChIInChI=1S/C25H23N5O2/c31-25(29-10-12-32-13-11-29)18-6-9-22-21(14-18)23(28-30(22)20-7-8-20)24-26-15-19(16-27-24)17-4-2-1-3-5-17/h1-6,9,14-16,20H,7-8,10-13H2
InChIKeyCBTWGSSWZCUYGF-UHFFFAOYSA-N
XLogP3.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
CID 137367695
[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367070
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
[3-methylsulfanyl-1-(5-phenylpyrimidin-2-yl)indazol-6-yl]-piperazin-1-ylmethanone
CID 118662756
[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 4519819
3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 23612551
morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 47076761

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone (CID 137367126) is [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)c(-c1ncc(-c3ccccc3)cn1)nn2C1CC1)N1CCOCC1.
What is the InChIKey of [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is CBTWGSSWZCUYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(29-10-12-32-13-11-29)18-6-9-22-21(14-18)23(28-30(22)20-7-8-20)24-26-15-19(16-27-24)17-4-2-1-3-5-17/h1-6,9,14-16,20H,7-8,10-13H2.
What are the key properties of [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone?
[1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 425.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(5-phenylpyrimidin-2-yl)indazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137367126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).