(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

C17H19N5O — CID 164634122

IUPAC(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)n1
InChIInChI=1S/C17H19N5O/c1-21-9-6-15(20-21)17(23)22-8-3-4-12(11-22)14-10-19-16-13(14)5-2-7-18-16/h2,5-7,9-10,12H,3-4,8,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBKEKVLARPDSGKP-LBPRGKRZSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds2

About (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 164634122) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID164634122
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)n1
InChIInChI=1S/C17H19N5O/c1-21-9-6-15(20-21)17(23)22-8-3-4-12(11-22)14-10-19-16-13(14)5-2-7-18-16/h2,5-7,9-10,12H,3-4,8,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyBKEKVLARPDSGKP-LBPRGKRZSA-N
XLogP2.32
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 126830384
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824421
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 164634122) is (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is Cn1ccc(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is BKEKVLARPDSGKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-9-6-15(20-21)17(23)22-8-3-4-12(11-22)14-10-19-16-13(14)5-2-7-18-16/h2,5-7,9-10,12H,3-4,8,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164634122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).