(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C21H23N5O4 — CID 110199088

IUPAC(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](Oc4cccnc4)C[C@H]3C(N)=O)o2)n1
InChIInChI=1S/C21H23N5O4/c1-13-8-14(2)26(24-13)12-16-5-6-19(30-16)21(28)25-11-17(9-18(25)20(22)27)29-15-4-3-7-23-10-15/h3-8,10,17-18H,9,11-12H2,1-2H3,(H2,22,27)/t17-,18-/m0/s1
InChIKeyQHODPMQMZPNWKM-ROUUACIJSA-N
MW409.45 g/mol
LogP1.68
Rot. Bonds6

About (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110199088) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110199088
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](Oc4cccnc4)C[C@H]3C(N)=O)o2)n1
InChIInChI=1S/C21H23N5O4/c1-13-8-14(2)26(24-13)12-16-5-6-19(30-16)21(28)25-11-17(9-18(25)20(22)27)29-15-4-3-7-23-10-15/h3-8,10,17-18H,9,11-12H2,1-2H3,(H2,22,27)/t17-,18-/m0/s1
InChIKeyQHODPMQMZPNWKM-ROUUACIJSA-N
XLogP1.68
TPSA116.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199060
(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198769
(2S,4S)-1-(1H-indazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199067
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918280
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198684
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
[(2S,4S)-1-(furan-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198919
(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19467753
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95330872

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110199088) is (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](Oc4cccnc4)C[C@H]3C(N)=O)o2)n1.
What is the InChIKey of (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is QHODPMQMZPNWKM-ROUUACIJSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-13-8-14(2)26(24-13)12-16-5-6-19(30-16)21(28)25-11-17(9-18(25)20(22)27)29-15-4-3-7-23-10-15/h3-8,10,17-18H,9,11-12H2,1-2H3,(H2,22,27)/t17-,18-/m0/s1.
What are the key properties of (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110199088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).