methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate

C20H21N5O2 — CID 70964916

IUPACmethyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate
SMILESCCn1cc(-c2ccnc3c2CCN3)c(-c2ccc(NC(=O)OC)cc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-25-12-17(15-8-10-21-19-16(15)9-11-22-19)18(24-25)13-4-6-14(7-5-13)23-20(26)27-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyBJFLXUYHNDDYFQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.78
Rot. Bonds4

About methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate

methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate (PubChem CID 70964916) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate
PubChem CID70964916
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Namemethyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate
SMILESCCn1cc(-c2ccnc3c2CCN3)c(-c2ccc(NC(=O)OC)cc2)n1
InChIInChI=1S/C20H21N5O2/c1-3-25-12-17(15-8-10-21-19-16(15)9-11-22-19)18(24-25)13-4-6-14(7-5-13)23-20(26)27-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)(H,23,26)
InChIKeyBJFLXUYHNDDYFQ-UHFFFAOYSA-N
XLogP3.78
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate (CID 70964916) is methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate is CCn1cc(-c2ccnc3c2CCN3)c(-c2ccc(NC(=O)OC)cc2)n1.
What is the InChIKey of methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate?
The InChIKey is BJFLXUYHNDDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-25-12-17(15-8-10-21-19-16(15)9-11-22-19)18(24-25)13-4-6-14(7-5-13)23-20(26)27-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)(H,23,26).
What are the key properties of methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate?
methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate is sourced from PubChem (CID 70964916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).