6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C27H32N4O4 — CID 58310791

IUPAC6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCCN1CCCC1)CO2
InChIInChI=1S/C27H32N4O4/c1-18-23(16-28-30-18)19-5-7-24(26(15-19)34-12-11-31-9-3-4-10-31)29-27(32)21-13-20-14-22(33-2)6-8-25(20)35-17-21/h5-8,14-16,21H,3-4,9-13,17H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyVVRVRGAYAJXHFJ-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.06
Rot. Bonds8

About 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 58310791) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID58310791
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCCN1CCCC1)CO2
InChIInChI=1S/C27H32N4O4/c1-18-23(16-28-30-18)19-5-7-24(26(15-19)34-12-11-31-9-3-4-10-31)29-27(32)21-13-20-14-22(33-2)6-8-25(20)35-17-21/h5-8,14-16,21H,3-4,9-13,17H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyVVRVRGAYAJXHFJ-UHFFFAOYSA-N
XLogP4.06
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 58310791) is 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3C)cc1OCCN1CCCC1)CO2.
What is the InChIKey of 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VVRVRGAYAJXHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-18-23(16-28-30-18)19-5-7-24(26(15-19)34-12-11-31-9-3-4-10-31)29-27(32)21-13-20-14-22(33-2)6-8-25(20)35-17-21/h5-8,14-16,21H,3-4,9-13,17H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 58310791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).