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

C23H23N7O2 — CID 164526467

IUPACN-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
SMILESCn1cnc(CNC(=O)c2cccc(CNc3ncc(-c4cn[nH]c4)c4c3CCO4)c2)c1
InChIInChI=1S/C23H23N7O2/c1-30-13-18(27-14-30)11-26-23(31)16-4-2-3-15(7-16)8-24-22-19-5-6-32-21(19)20(12-25-22)17-9-28-29-10-17/h2-4,7,9-10,12-14H,5-6,8,11H2,1H3,(H,24,25)(H,26,31)(H,28,29)
InChIKeyLKTNPLDLRBQHRP-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.68
Rot. Bonds7

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

N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide (PubChem CID 164526467) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
PubChem CID164526467
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
SMILESCn1cnc(CNC(=O)c2cccc(CNc3ncc(-c4cn[nH]c4)c4c3CCO4)c2)c1
InChIInChI=1S/C23H23N7O2/c1-30-13-18(27-14-30)11-26-23(31)16-4-2-3-15(7-16)8-24-22-19-5-6-32-21(19)20(12-25-22)17-9-28-29-10-17/h2-4,7,9-10,12-14H,5-6,8,11H2,1H3,(H,24,25)(H,26,31)(H,28,29)
InChIKeyLKTNPLDLRBQHRP-UHFFFAOYSA-N
XLogP2.68
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide (CID 164526467) is N-[(1-methylimidazol-4-yl)methyl]-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-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide is Cn1cnc(CNC(=O)c2cccc(CNc3ncc(-c4cn[nH]c4)c4c3CCO4)c2)c1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The InChIKey is LKTNPLDLRBQHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-30-13-18(27-14-30)11-26-23(31)16-4-2-3-15(7-16)8-24-22-19-5-6-32-21(19)20(12-25-22)17-9-28-29-10-17/h2-4,7,9-10,12-14H,5-6,8,11H2,1H3,(H,24,25)(H,26,31)(H,28,29).
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 164526467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).