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

C22H23F2N5O2 — CID 154697787

IUPAC[3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone
SMILESCCc1cccc2[nH]c(C(=O)N3CCc4[nH]nc(C(=O)N5CCC(F)(F)C5)c4C3)cc12
InChIInChI=1S/C22H23F2N5O2/c1-2-13-4-3-5-16-14(13)10-18(25-16)20(30)28-8-6-17-15(11-28)19(27-26-17)21(31)29-9-7-22(23,24)12-29/h3-5,10,25H,2,6-9,11-12H2,1H3,(H,26,27)
InChIKeyUUFJWIPFDQDJQN-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.13
Rot. Bonds3

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

[3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone (PubChem CID 154697787) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone
PubChem CID154697787
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name[3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone
SMILESCCc1cccc2[nH]c(C(=O)N3CCc4[nH]nc(C(=O)N5CCC(F)(F)C5)c4C3)cc12
InChIInChI=1S/C22H23F2N5O2/c1-2-13-4-3-5-16-14(13)10-18(25-16)20(30)28-8-6-17-15(11-28)19(27-26-17)21(31)29-9-7-22(23,24)12-29/h3-5,10,25H,2,6-9,11-12H2,1H3,(H,26,27)
InChIKeyUUFJWIPFDQDJQN-UHFFFAOYSA-N
XLogP3.13
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone?
The IUPAC name of [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone (CID 154697787) is [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone is CCc1cccc2[nH]c(C(=O)N3CCc4[nH]nc(C(=O)N5CCC(F)(F)C5)c4C3)cc12.
What is the InChIKey of [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone?
The InChIKey is UUFJWIPFDQDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-2-13-4-3-5-16-14(13)10-18(25-16)20(30)28-8-6-17-15(11-28)19(27-26-17)21(31)29-9-7-22(23,24)12-29/h3-5,10,25H,2,6-9,11-12H2,1H3,(H,26,27).
What are the key properties of [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone?
[3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone has a molecular weight of 427.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-difluoropyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 154697787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).