(E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide

C21H19N5O — CID 126568387

IUPAC(E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc3c(ccn3C)c2)cn1
InChIInChI=1S/C21H19N5O/c1-25-10-8-15-11-18(4-5-20(15)25)24-21(27)6-3-16-12-22-9-7-19(16)17-13-23-26(2)14-17/h3-14H,1-2H3,(H,24,27)/b6-3+
InChIKeyGRNCZBXOIUXASV-ZZXKWVIFSA-N
MW357.42 g/mol
LogP3.63
Rot. Bonds4

About (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide

(E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 126568387) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
PubChem CID126568387
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc3c(ccn3C)c2)cn1
InChIInChI=1S/C21H19N5O/c1-25-10-8-15-11-18(4-5-20(15)25)24-21(27)6-3-16-12-22-9-7-19(16)17-13-23-26(2)14-17/h3-14H,1-2H3,(H,24,27)/b6-3+
InChIKeyGRNCZBXOIUXASV-ZZXKWVIFSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide (CID 126568387) is (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide is Cn1cc(-c2ccncc2/C=C/C(=O)Nc2ccc3c(ccn3C)c2)cn1.
What is the InChIKey of (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is GRNCZBXOIUXASV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C21H19N5O/c1-25-10-8-15-11-18(4-5-20(15)25)24-21(27)6-3-16-12-22-9-7-19(16)17-13-23-26(2)14-17/h3-14H,1-2H3,(H,24,27)/b6-3+.
What are the key properties of (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 357.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methylindol-5-yl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 126568387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).