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

C19H25N3O4 — CID 97367895

IUPAC2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C19H25N3O4/c1-13-16(5-9-25-13)19(23)20-10-17-18-15(4-8-26-17)12-22(21-18)11-14-2-6-24-7-3-14/h5,9,12,14,17H,2-4,6-8,10-11H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyWXWSBEJXVMTGMY-KRWDZBQOSA-N
MW359.43 g/mol
LogP2.25
Rot. Bonds5

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

2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide (PubChem CID 97367895) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide
PubChem CID97367895
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C19H25N3O4/c1-13-16(5-9-25-13)19(23)20-10-17-18-15(4-8-26-17)12-22(21-18)11-14-2-6-24-7-3-14/h5,9,12,14,17H,2-4,6-8,10-11H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyWXWSBEJXVMTGMY-KRWDZBQOSA-N
XLogP2.25
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide (CID 97367895) is 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide is Cc1occc1C(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21.
What is the InChIKey of 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide?
The InChIKey is WXWSBEJXVMTGMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-16(5-9-25-13)19(23)20-10-17-18-15(4-8-26-17)12-22(21-18)11-14-2-6-24-7-3-14/h5,9,12,14,17H,2-4,6-8,10-11H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide?
2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(7S)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 97367895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).