4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C15H17N5O — CID 177211778

IUPAC4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCC12CC1CN(c1nc(OC)nc3[nH]cc(C#N)c13)C2
InChIInChI=1S/C15H17N5O/c1-3-15-4-10(15)7-20(8-15)13-11-9(5-16)6-17-12(11)18-14(19-13)21-2/h6,10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFAZKLTGUQWYVEF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.07
Rot. Bonds3

About 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 177211778) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID177211778
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCC12CC1CN(c1nc(OC)nc3[nH]cc(C#N)c13)C2
InChIInChI=1S/C15H17N5O/c1-3-15-4-10(15)7-20(8-15)13-11-9(5-16)6-17-12(11)18-14(19-13)21-2/h6,10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFAZKLTGUQWYVEF-UHFFFAOYSA-N
XLogP2.07
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211750
N-[5-cyano-4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
CID 177211732
2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708945
4-(2-chloro-4,5-dimethoxyphenyl)-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethoxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 24875940
4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
3-[4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 177211682
4-(2-chloro-4,5-dimethoxyphenyl)-2-[2-(3-fluoropiperidin-1-yl)ethoxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 68921690
4-(2-chloro-4,5-dimethoxyphenyl)-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 68921691
4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22484488
6-[4-(4,4-difluoropiperidine-1-carbonyl)-2-methoxyanilino]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436034
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 163316975
4-(2-chloro-4,5-dimethoxyphenyl)-2-[1-(3,3-difluoropyrrolidin-1-yl)propan-2-ylsulfanyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 24876532

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 177211778) is 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCC12CC1CN(c1nc(OC)nc3[nH]cc(C#N)c13)C2.
What is the InChIKey of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is FAZKLTGUQWYVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-15-4-10(15)7-20(8-15)13-11-9(5-16)6-17-12(11)18-14(19-13)21-2/h6,10H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 177211778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).