6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C20H23ClN4 — CID 159696108

IUPAC6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cc(Cl)nc2[nH]ccc12.CC(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C10H11ClN2.C10H12N2/c1-6(2)8-5-9(11)13-10-7(8)3-4-12-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10/h3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12)
InChIKeyMXAKLZQAFPWBIK-UHFFFAOYSA-N
MW354.88 g/mol
LogP6.03
Rot. Bonds2

About 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159696108) has the molecular formula C20H23ClN4 and a molecular weight of 354.88 g/mol. Its IUPAC name is 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID159696108
Molecular FormulaC20H23ClN4
Molecular Weight354.88 g/mol
Exact Mass354.16
IUPAC Name6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cc(Cl)nc2[nH]ccc12.CC(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C10H11ClN2.C10H12N2/c1-6(2)8-5-9(11)13-10-7(8)3-4-12-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10/h3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12)
InChIKeyMXAKLZQAFPWBIK-UHFFFAOYSA-N
XLogP6.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine
CID 167098732
4-propan-2-ylpyrrolo[1,2-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 160987444
7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine
CID 163581183
1-(3-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)propan-2-one
CID 174628400
6-chloro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 133087909
5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 122472434
N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 139340983
N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 167817845
(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
CID 131183370
6-chloro-4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine
CID 59305001
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine
CID 176658077

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 159696108) is 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(C)c1cc(Cl)nc2[nH]ccc12.CC(C)c1ccnc2[nH]ccc12.
What is the InChIKey of 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MXAKLZQAFPWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2.C10H12N2/c1-6(2)8-5-9(11)13-10-7(8)3-4-12-10;1-7(2)8-3-5-11-10-9(8)4-6-12-10/h3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12).
What are the key properties of 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 354.88 g/mol, XLogP of 6.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159696108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).