N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide

C19H23N5O3 — CID 131902819

IUPACN-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1cc2nc(CN3CCC(CNC(=O)c4ccco4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C19H23N5O3/c1-13-9-17-21-15(10-18(25)24(17)22-13)12-23-6-4-14(5-7-23)11-20-19(26)16-3-2-8-27-16/h2-3,8-10,14,22H,4-7,11-12H2,1H3,(H,20,26)
InChIKeyGNCRXQFNOIONJR-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.57
Rot. Bonds5

About N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide

N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 131902819) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID131902819
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1cc2nc(CN3CCC(CNC(=O)c4ccco4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C19H23N5O3/c1-13-9-17-21-15(10-18(25)24(17)22-13)12-23-6-4-14(5-7-23)11-20-19(26)16-3-2-8-27-16/h2-3,8-10,14,22H,4-7,11-12H2,1H3,(H,20,26)
InChIKeyGNCRXQFNOIONJR-UHFFFAOYSA-N
XLogP1.57
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 131898832
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132625
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
CID 167811798
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135103268
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277430
N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95554216
2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 91836216

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide (CID 131902819) is N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide is Cc1cc2nc(CN3CCC(CNC(=O)c4ccco4)CC3)cc(=O)n2[nH]1.
What is the InChIKey of N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is GNCRXQFNOIONJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-9-17-21-15(10-18(25)24(17)22-13)12-23-6-4-14(5-7-23)11-20-19(26)16-3-2-8-27-16/h2-3,8-10,14,22H,4-7,11-12H2,1H3,(H,20,26).
What are the key properties of N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 131902819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).