N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C19H31N5O2 — CID 72903585

IUPACN,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCC(CC(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)CC1
InChIInChI=1S/C19H31N5O2/c1-13(2)23-8-5-14(6-9-23)11-17(25)24-10-7-16-15(12-24)18(21-20-16)19(26)22(3)4/h13-14H,5-12H2,1-4H3,(H,20,21)
InChIKeyYNPGRFLHPWLPRE-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.51
Rot. Bonds4

About N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 72903585) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID72903585
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCC(CC(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)CC1
InChIInChI=1S/C19H31N5O2/c1-13(2)23-8-5-14(6-9-23)11-17(25)24-10-7-16-15(12-24)18(21-20-16)19(26)22(3)4/h13-14H,5-12H2,1-4H3,(H,20,21)
InChIKeyYNPGRFLHPWLPRE-UHFFFAOYSA-N
XLogP1.51
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 72903585) is N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)N1CCC(CC(=O)N2CCc3[nH]nc(C(=O)N(C)C)c3C2)CC1.
What is the InChIKey of N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YNPGRFLHPWLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13(2)23-8-5-14(6-9-23)11-17(25)24-10-7-16-15(12-24)18(21-20-16)19(26)22(3)4/h13-14H,5-12H2,1-4H3,(H,20,21).
What are the key properties of N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 72903585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).