(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C15H17N5O — CID 169166626

IUPAC(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1=NN=C(C2CC2)C2CC12)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N5O/c21-15(20-4-3-11-12(6-20)17-7-16-11)14-10-5-9(10)13(18-19-14)8-1-2-8/h7-10H,1-6H2,(H,16,17)
InChIKeyZCHKXNZQSBCMPP-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.15
Rot. Bonds2

About (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169166626) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID169166626
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1=NN=C(C2CC2)C2CC12)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H17N5O/c21-15(20-4-3-11-12(6-20)17-7-16-11)14-10-5-9(10)13(18-19-14)8-1-2-8/h7-10H,1-6H2,(H,16,17)
InChIKeyZCHKXNZQSBCMPP-UHFFFAOYSA-N
XLogP1.15
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 169166626) is (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(C1=NN=C(C2CC2)C2CC12)N1CCc2nc[nH]c2C1.
What is the InChIKey of (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is ZCHKXNZQSBCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(20-4-3-11-12(6-20)17-7-16-11)14-10-5-9(10)13(18-19-14)8-1-2-8/h7-10H,1-6H2,(H,16,17).
What are the key properties of (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169166626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).