7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C22H31N9 — CID 156790909

IUPAC7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)c1cnn2c(NCc3cn4c(n3)NCC=C4)cc(NCC3CCNCC3)nc12
InChIInChI=1S/C22H31N9/c1-15(2)18-13-27-31-20(26-12-17-14-30-9-3-6-24-22(30)28-17)10-19(29-21(18)31)25-11-16-4-7-23-8-5-16/h3,9-10,13-16,23,26H,4-8,11-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySXFVXPIVFNQOCC-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.97
Rot. Bonds7

About 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 156790909) has the molecular formula C22H31N9 and a molecular weight of 421.55 g/mol. Its IUPAC name is 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID156790909
Molecular FormulaC22H31N9
Molecular Weight421.55 g/mol
Exact Mass421.27
IUPAC Name7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)c1cnn2c(NCc3cn4c(n3)NCC=C4)cc(NCC3CCNCC3)nc12
InChIInChI=1S/C22H31N9/c1-15(2)18-13-27-31-20(26-12-17-14-30-9-3-6-24-22(30)28-17)10-19(29-21(18)31)25-11-16-4-7-23-8-5-16/h3,9-10,13-16,23,26H,4-8,11-12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySXFVXPIVFNQOCC-UHFFFAOYSA-N
XLogP2.97
TPSA96.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 156790909) is 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CC(C)c1cnn2c(NCc3cn4c(n3)NCC=C4)cc(NCC3CCNCC3)nc12.
What is the InChIKey of 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is SXFVXPIVFNQOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N9/c1-15(2)18-13-27-31-20(26-12-17-14-30-9-3-6-24-22(30)28-17)10-19(29-21(18)31)25-11-16-4-7-23-8-5-16/h3,9-10,13-16,23,26H,4-8,11-12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 421.55 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 156790909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).