(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C19H22N4O3 — CID 129474530

IUPAC(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc2oc(CNC[C@H]3CCn4ncc(C(N)=O)c4C3)cc2c1
InChIInChI=1S/C19H22N4O3/c1-25-14-2-3-18-13(7-14)8-15(26-18)10-21-9-12-4-5-23-17(6-12)16(11-22-23)19(20)24/h2-3,7-8,11-12,21H,4-6,9-10H2,1H3,(H2,20,24)/t12-/m0/s1
InChIKeyNGNFOZAKZTXQNY-LBPRGKRZSA-N
MW354.41 g/mol
LogP2.09
Rot. Bonds6

About (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129474530) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129474530
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc2oc(CNC[C@H]3CCn4ncc(C(N)=O)c4C3)cc2c1
InChIInChI=1S/C19H22N4O3/c1-25-14-2-3-18-13(7-14)8-15(26-18)10-21-9-12-4-5-23-17(6-12)16(11-22-23)19(20)24/h2-3,7-8,11-12,21H,4-6,9-10H2,1H3,(H2,20,24)/t12-/m0/s1
InChIKeyNGNFOZAKZTXQNY-LBPRGKRZSA-N
XLogP2.09
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129474530) is (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc2oc(CNC[C@H]3CCn4ncc(C(N)=O)c4C3)cc2c1.
What is the InChIKey of (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NGNFOZAKZTXQNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-14-2-3-18-13(7-14)8-15(26-18)10-21-9-12-4-5-23-17(6-12)16(11-22-23)19(20)24/h2-3,7-8,11-12,21H,4-6,9-10H2,1H3,(H2,20,24)/t12-/m0/s1.
What are the key properties of (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129474530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).