1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C19H19N5O3 — CID 146783417

IUPAC1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CCCO3)c2C1
InChIInChI=1S/C19H19N5O3/c25-18(16-10-12-4-1-2-5-14(12)20-16)23-8-6-15-13(11-23)17(22-21-15)19(26)24-7-3-9-27-24/h1-2,4-5,10,20H,3,6-9,11H2,(H,21,22)
InChIKeyRUCSOBKVEWRUJI-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.87
Rot. Bonds2

About 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 146783417) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID146783417
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CCCO3)c2C1
InChIInChI=1S/C19H19N5O3/c25-18(16-10-12-4-1-2-5-14(12)20-16)23-8-6-15-13(11-23)17(22-21-15)19(26)24-7-3-9-27-24/h1-2,4-5,10,20H,3,6-9,11H2,(H,21,22)
InChIKeyRUCSOBKVEWRUJI-UHFFFAOYSA-N
XLogP1.87
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576753
[3-(4-azaspiro[2.5]octane-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576821
[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576967
N-cyclohexyl-5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576774
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576721
methyl 1-[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 142576954
(3-cyclopentyloxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 142576904
N-(2-aminoethyl)-5-(1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 152538621
4-[[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methylamino]-4-oxobutanoic acid
CID 155662444
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
N-(3-chlorophenyl)-3-(oxazinane-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 166635916
azanium 3-[[5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methylamino]-3-oxopropane-1-sulfonate
CID 155662445

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 146783417) is 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CCCO3)c2C1.
What is the InChIKey of 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is RUCSOBKVEWRUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-18(16-10-12-4-1-2-5-14(12)20-16)23-8-6-15-13(11-23)17(22-21-15)19(26)24-7-3-9-27-24/h1-2,4-5,10,20H,3,6-9,11H2,(H,21,22).
What are the key properties of 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 365.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 146783417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).