5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine

C21H21ClN8O — CID 89460698

IUPAC5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(c4cnccn4)CC3)c2c1Cl
InChIInChI=1S/C21H21ClN8O/c1-2-15-18(22)17-19(26-15)27-21(31-14-4-3-5-23-12-14)28-20(17)30-10-8-29(9-11-30)16-13-24-6-7-25-16/h3-7,12-13H,2,8-11H2,1H3,(H,26,27,28)
InChIKeyBJFQLYQPNOETRM-UHFFFAOYSA-N
MW436.91 g/mol
LogP3.48
Rot. Bonds5

About 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine

5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 89460698) has the molecular formula C21H21ClN8O and a molecular weight of 436.91 g/mol. Its IUPAC name is 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID89460698
Molecular FormulaC21H21ClN8O
Molecular Weight436.91 g/mol
Exact Mass436.15
IUPAC Name5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(c4cnccn4)CC3)c2c1Cl
InChIInChI=1S/C21H21ClN8O/c1-2-15-18(22)17-19(26-15)27-21(31-14-4-3-5-23-12-14)28-20(17)30-10-8-29(9-11-30)16-13-24-6-7-25-16/h3-7,12-13H,2,8-11H2,1H3,(H,26,27,28)
InChIKeyBJFQLYQPNOETRM-UHFFFAOYSA-N
XLogP3.48
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.91
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

1-[5-chloro-6-ethyl-2-(2-pyridin-3-yloxypyrimidin-5-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine
CID 89460737
5-[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]pyrimidine-2-carboxamide
CID 89460987
7-[[5-chloro-6-ethyl-4-(3-pyridin-3-ylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine
CID 89470325
5-chloro-6-ethyl-2-[(E,1E)-1-(3-methylidene-2-pyridinylidene)but-2-en-2-yl]sulfanyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 88963215
5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 89460767
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
5-chloro-6-ethyl-2-[(5-ethyl-3-pyridinyl)oxy]-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
CID 140893593
(3R)-1-(5-chloro-6-ethyl-2-quinolin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 71720625
(3S,4R)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-phenylpyrrolidin-3-amine
CID 89460851
5-[(5-chloro-6-ethyl-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)oxy]pyridine-3-carbonitrile
CID 126562613
2-(4-pyrazin-2-ylpiperazin-1-yl)phenol
CID 2572823
(1S,5R)-N,N-dibenzyl-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 122659108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine (CID 89460698) is 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine is CCc1[nH]c2nc(Oc3cccnc3)nc(N3CCN(c4cnccn4)CC3)c2c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is BJFQLYQPNOETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN8O/c1-2-15-18(22)17-19(26-15)27-21(31-14-4-3-5-23-12-14)28-20(17)30-10-8-29(9-11-30)16-13-24-6-7-25-16/h3-7,12-13H,2,8-11H2,1H3,(H,26,27,28).
What are the key properties of 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 436.91 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-2-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 89460698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).