7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine

C23H26N4O — CID 146419840

IUPAC7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
SMILESCn1cc(-c2ccc(CN3CCC[C@H]3c3cnc4c(c3)OCCC4)cc2)cn1
InChIInChI=1S/C23H26N4O/c1-26-16-20(14-25-26)18-8-6-17(7-9-18)15-27-10-2-5-22(27)19-12-23-21(24-13-19)4-3-11-28-23/h6-9,12-14,16,22H,2-5,10-11,15H2,1H3/t22-/m0/s1
InChIKeyZQEACZOSPFAYLE-QFIPXVFZSA-N
MW374.49 g/mol
LogP4.14
Rot. Bonds4

About 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine

7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine (PubChem CID 146419840) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
PubChem CID146419840
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
SMILESCn1cc(-c2ccc(CN3CCC[C@H]3c3cnc4c(c3)OCCC4)cc2)cn1
InChIInChI=1S/C23H26N4O/c1-26-16-20(14-25-26)18-8-6-17(7-9-18)15-27-10-2-5-22(27)19-12-23-21(24-13-19)4-3-11-28-23/h6-9,12-14,16,22H,2-5,10-11,15H2,1H3/t22-/m0/s1
InChIKeyZQEACZOSPFAYLE-QFIPXVFZSA-N
XLogP4.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The IUPAC name of 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine (CID 146419840) is 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine.
What is the SMILES notation for 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The canonical SMILES for 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine is Cn1cc(-c2ccc(CN3CCC[C@H]3c3cnc4c(c3)OCCC4)cc2)cn1.
What is the InChIKey of 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
The InChIKey is ZQEACZOSPFAYLE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26-16-20(14-25-26)18-8-6-17(7-9-18)15-27-10-2-5-22(27)19-12-23-21(24-13-19)4-3-11-28-23/h6-9,12-14,16,22H,2-5,10-11,15H2,1H3/t22-/m0/s1.
What are the key properties of 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine?
7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine has a molecular weight of 374.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine is sourced from PubChem (CID 146419840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).