N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide

C19H24N4O3 — CID 97367899

IUPACN-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1
InChIInChI=1S/C19H24N4O3/c24-19(15-1-6-20-7-2-15)21-11-17-18-16(5-10-26-17)13-23(22-18)12-14-3-8-25-9-4-14/h1-2,6-7,13-14,17H,3-5,8-12H2,(H,21,24)/t17-/m0/s1
InChIKeyIAAZGTJMMUYZJS-KRWDZBQOSA-N
MW356.43 g/mol
LogP1.75
Rot. Bonds5

About N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide

N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide (PubChem CID 97367899) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
PubChem CID97367899
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1
InChIInChI=1S/C19H24N4O3/c24-19(15-1-6-20-7-2-15)21-11-17-18-16(5-10-26-17)13-23(22-18)12-14-3-8-25-9-4-14/h1-2,6-7,13-14,17H,3-5,8-12H2,(H,21,24)/t17-/m0/s1
InChIKeyIAAZGTJMMUYZJS-KRWDZBQOSA-N
XLogP1.75
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide (CID 97367899) is N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21)c1ccncc1.
What is the InChIKey of N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
The InChIKey is IAAZGTJMMUYZJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-19(15-1-6-20-7-2-15)21-11-17-18-16(5-10-26-17)13-23(22-18)12-14-3-8-25-9-4-14/h1-2,6-7,13-14,17H,3-5,8-12H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide?
N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 97367899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).