5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C19H24N8 — CID 90104316

IUPAC5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1nn(C2CCNC2)cc1Nc1nc(C2C3CCCCC32)nc2cn[nH]c12
InChIInChI=1S/C19H24N8/c1-2-4-14-13(3-1)16(14)18-24-15-9-21-26-17(15)19(25-18)23-11-7-22-27(10-11)12-5-6-20-8-12/h7,9-10,12-14,16,20H,1-6,8H2,(H,21,26)(H,23,24,25)
InChIKeyLCUXXLAQUAGUDX-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.73
Rot. Bonds4

About 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104316) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104316
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1nn(C2CCNC2)cc1Nc1nc(C2C3CCCCC32)nc2cn[nH]c12
InChIInChI=1S/C19H24N8/c1-2-4-14-13(3-1)16(14)18-24-15-9-21-26-17(15)19(25-18)23-11-7-22-27(10-11)12-5-6-20-8-12/h7,9-10,12-14,16,20H,1-6,8H2,(H,21,26)(H,23,24,25)
InChIKeyLCUXXLAQUAGUDX-UHFFFAOYSA-N
XLogP2.73
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104316) is 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is c1nn(C2CCNC2)cc1Nc1nc(C2C3CCCCC32)nc2cn[nH]c12.
What is the InChIKey of 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LCUXXLAQUAGUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-2-4-14-13(3-1)16(14)18-24-15-9-21-26-17(15)19(25-18)23-11-7-22-27(10-11)12-5-6-20-8-12/h7,9-10,12-14,16,20H,1-6,8H2,(H,21,26)(H,23,24,25).
What are the key properties of 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 364.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).