(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one

C19H21N5O2 — CID 77093380

IUPAC(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2ccccn2)Cc2ccc(-c3ccn[nH]3)o2)N1
InChIInChI=1S/C19H21N5O2/c25-19-7-4-15(22-19)12-24(11-14-3-1-2-9-20-14)13-16-5-6-18(26-16)17-8-10-21-23-17/h1-3,5-6,8-10,15H,4,7,11-13H2,(H,21,23)(H,22,25)/t15-/m0/s1
InChIKeyLQHZTPOTPGDWEF-HNNXBMFYSA-N
MW351.41 g/mol
LogP2.35
Rot. Bonds7

About (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 77093380) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID77093380
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2ccccn2)Cc2ccc(-c3ccn[nH]3)o2)N1
InChIInChI=1S/C19H21N5O2/c25-19-7-4-15(22-19)12-24(11-14-3-1-2-9-20-14)13-16-5-6-18(26-16)17-8-10-21-23-17/h1-3,5-6,8-10,15H,4,7,11-13H2,(H,21,23)(H,22,25)/t15-/m0/s1
InChIKeyLQHZTPOTPGDWEF-HNNXBMFYSA-N
XLogP2.35
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 26
CID 44236909
Furan-2-carboxamide deriv., 27
CID 44236910
Furan-2-carboxamide deriv., 28
CID 44236911
Furan-2-carboxamide deriv., 29
CID 44236912
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
4-(4-Isopropoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-isopropyl-N-(oxetan-3-yl)-1H-pyrrole-2-carboxaMide
CID 56941655
US10022354, Example 52
CID 121279730
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 16192147
1-[3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-5-(1H-pyrrol-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 145987058
3-Tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365842

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 77093380) is (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one is O=C1CC[C@@H](CN(Cc2ccccn2)Cc2ccc(-c3ccn[nH]3)o2)N1.
What is the InChIKey of (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is LQHZTPOTPGDWEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19-7-4-15(22-19)12-24(11-14-3-1-2-9-20-14)13-16-5-6-18(26-16)17-8-10-21-23-17/h1-3,5-6,8-10,15H,4,7,11-13H2,(H,21,23)(H,22,25)/t15-/m0/s1.
What are the key properties of (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 77093380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).