6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C26H29N5O4 — CID 117076137

IUPAC6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1C(=O)N1CCN(C)CC1)CO2
InChIInChI=1S/C26H29N5O4/c1-30-7-9-31(10-8-30)26(33)22-13-17(20-14-27-28-15-20)3-5-23(22)29-25(32)19-11-18-12-21(34-2)4-6-24(18)35-16-19/h3-6,12-15,19H,7-11,16H2,1-2H3,(H,27,28)(H,29,32)
InChIKeyACTUZFUPXQVXPA-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.66
Rot. Bonds5

About 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 117076137) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID117076137
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1C(=O)N1CCN(C)CC1)CO2
InChIInChI=1S/C26H29N5O4/c1-30-7-9-31(10-8-30)26(33)22-13-17(20-14-27-28-15-20)3-5-23(22)29-25(32)19-11-18-12-21(34-2)4-6-24(18)35-16-19/h3-6,12-15,19H,7-11,16H2,1-2H3,(H,27,28)(H,29,32)
InChIKeyACTUZFUPXQVXPA-UHFFFAOYSA-N
XLogP2.66
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 117076137) is 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1C(=O)N1CCN(C)CC1)CO2.
What is the InChIKey of 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ACTUZFUPXQVXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-30-7-9-31(10-8-30)26(33)22-13-17(20-14-27-28-15-20)3-5-23(22)29-25(32)19-11-18-12-21(34-2)4-6-24(18)35-16-19/h3-6,12-15,19H,7-11,16H2,1-2H3,(H,27,28)(H,29,32).
What are the key properties of 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 117076137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).