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

C27H32N4O4 — CID 124566120

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

(3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124566120) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
• PubChem CID: 124566120
• Molecular Formula: C27H32N4O4
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.24
• IUPAC Name: (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
• SMILES: COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC[C@@H]1CCCCN1C)CO2
• InChI: InChI=1S/C27H32N4O4/c1-31-10-4-3-5-22(31)17-35-26-13-18(21-14-28-29-15-21)6-8-24(26)30-27(32)20-11-19-12-23(33-2)7-9-25(19)34-16-20/h6-9,12-15,20,22H,3-5,10-11,16-17H2,1-2H3,(H,28,29)(H,30,32)/t20-,22-/m0/s1
• InChIKey: YSKPOTAWQOXXDI-UNMCSNQZSA-N
• XLogP: 4.14
• TPSA: 88.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

The IUPAC name of (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 124566120) is (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

What is the SMILES notation for (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

The canonical SMILES for (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC[C@@H]1CCCCN1C)CO2.

What is the InChIKey of (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

The InChIKey is YSKPOTAWQOXXDI-UNMCSNQZSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-31-10-4-3-5-22(31)17-35-26-13-18(21-14-28-29-15-21)6-8-24(26)30-27(32)20-11-19-12-23(33-2)7-9-25(19)34-16-20/h6-9,12-15,20,22H,3-5,10-11,16-17H2,1-2H3,(H,28,29)(H,30,32)/t20-,22-/m0/s1.

What are the key properties of (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

(3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124566120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).