N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide

C30H32N6O2 — CID 164526483

IUPACN-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CNc2ncc(-c3cn[nH]c3)c3c2CCO3)c1
InChIInChI=1S/C30H32N6O2/c37-30(35-25-9-12-36(13-10-25)20-21-5-2-1-3-6-21)23-8-4-7-22(15-23)16-31-29-26-11-14-38-28(26)27(19-32-29)24-17-33-34-18-24/h1-8,15,17-19,25H,9-14,16,20H2,(H,31,32)(H,33,34)(H,35,37)
InChIKeyINTMHUHWYOOAMN-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.41
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide

N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide (PubChem CID 164526483) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
PubChem CID164526483
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CNc2ncc(-c3cn[nH]c3)c3c2CCO3)c1
InChIInChI=1S/C30H32N6O2/c37-30(35-25-9-12-36(13-10-25)20-21-5-2-1-3-6-21)23-8-4-7-22(15-23)16-31-29-26-11-14-38-28(26)27(19-32-29)24-17-33-34-18-24/h1-8,15,17-19,25H,9-14,16,20H2,(H,31,32)(H,33,34)(H,35,37)
InChIKeyINTMHUHWYOOAMN-UHFFFAOYSA-N
XLogP4.41
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide (CID 164526483) is N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(CNc2ncc(-c3cn[nH]c3)c3c2CCO3)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The InChIKey is INTMHUHWYOOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c37-30(35-25-9-12-36(13-10-25)20-21-5-2-1-3-6-21)23-8-4-7-22(15-23)16-31-29-26-11-14-38-28(26)27(19-32-29)24-17-33-34-18-24/h1-8,15,17-19,25H,9-14,16,20H2,(H,31,32)(H,33,34)(H,35,37).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide has a molecular weight of 508.63 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 164526483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).