[2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

C28H23FN6O4 — CID 118138375

IUPAC[2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C28H23FN6O4/c29-21-3-1-2-4-24(21)39-25-8-6-19(15-31-25)35-27(30)20(16-32-35)26(36)23-14-18-13-17(5-7-22(18)33-23)28(37)34-9-11-38-12-10-34/h1-8,13-16,33H,9-12,30H2
InChIKeyPYMNBPDGSGXXQN-UHFFFAOYSA-N
MW526.53 g/mol
LogP3.97
Rot. Bonds6

About [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone

[2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138375) has the molecular formula C28H23FN6O4 and a molecular weight of 526.53 g/mol. Its IUPAC name is [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
PubChem CID118138375
Molecular FormulaC28H23FN6O4
Molecular Weight526.53 g/mol
Exact Mass526.18
IUPAC Name[2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C28H23FN6O4/c29-21-3-1-2-4-24(21)39-25-8-6-19(15-31-25)35-27(30)20(16-32-35)26(36)23-14-18-13-17(5-7-22(18)33-23)28(37)34-9-11-38-12-10-34/h1-8,13-16,33H,9-12,30H2
InChIKeyPYMNBPDGSGXXQN-UHFFFAOYSA-N
XLogP3.97
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138375) is [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cnn1-c1ccc(Oc2ccccc2F)nc1.
What is the InChIKey of [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PYMNBPDGSGXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O4/c29-21-3-1-2-4-24(21)39-25-8-6-19(15-31-25)35-27(30)20(16-32-35)26(36)23-14-18-13-17(5-7-22(18)33-23)28(37)34-9-11-38-12-10-34/h1-8,13-16,33H,9-12,30H2.
What are the key properties of [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 526.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-[6-(2-fluorophenoxy)-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).