N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

C17H18N4O2 — CID 95340854

IUPACN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2n1
InChIInChI=1S/C17H18N4O2/c1-10-3-6-14-13(19-10)9-15(23-14)17(22)20-16-7-8-18-21(16)11(2)12-4-5-12/h3,6-9,11-12H,4-5H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyQKRHZNVMMVSGEV-NSHDSACASA-N
MW310.36 g/mol
LogP3.56
Rot. Bonds4

About N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 95340854) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID95340854
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2n1
InChIInChI=1S/C17H18N4O2/c1-10-3-6-14-13(19-10)9-15(23-14)17(22)20-16-7-8-18-21(16)11(2)12-4-5-12/h3,6-9,11-12H,4-5H2,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyQKRHZNVMMVSGEV-NSHDSACASA-N
XLogP3.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (CID 95340854) is N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2n1.
What is the InChIKey of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is QKRHZNVMMVSGEV-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-3-6-14-13(19-10)9-15(23-14)17(22)20-16-7-8-18-21(16)11(2)12-4-5-12/h3,6-9,11-12H,4-5H2,1-2H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 95340854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).