5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

C27H33N7 — CID 166529556

IUPAC5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NCC3CCNCC3)nc12
InChIInChI=1S/C27H33N7/c1-19(2)23-18-32-34-26(15-25(33-27(23)34)30-16-21-10-13-28-14-11-21)31-17-20-6-8-22(9-7-20)24-5-3-4-12-29-24/h3-9,12,15,18-19,21,28,31H,10-11,13-14,16-17H2,1-2H3,(H,30,33)
InChIKeyDTTOKNIBWNQLOX-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.94
Rot. Bonds8

About 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 166529556) has the molecular formula C27H33N7 and a molecular weight of 455.61 g/mol. Its IUPAC name is 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID166529556
Molecular FormulaC27H33N7
Molecular Weight455.61 g/mol
Exact Mass455.28
IUPAC Name5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NCC3CCNCC3)nc12
InChIInChI=1S/C27H33N7/c1-19(2)23-18-32-34-26(15-25(33-27(23)34)30-16-21-10-13-28-14-11-21)31-17-20-6-8-22(9-7-20)24-5-3-4-12-29-24/h3-9,12,15,18-19,21,28,31H,10-11,13-14,16-17H2,1-2H3,(H,30,33)
InChIKeyDTTOKNIBWNQLOX-UHFFFAOYSA-N
XLogP4.94
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 166529556) is 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NCC3CCNCC3)nc12.
What is the InChIKey of 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is DTTOKNIBWNQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7/c1-19(2)23-18-32-34-26(15-25(33-27(23)34)30-16-21-10-13-28-14-11-21)31-17-20-6-8-22(9-7-20)24-5-3-4-12-29-24/h3-9,12,15,18-19,21,28,31H,10-11,13-14,16-17H2,1-2H3,(H,30,33).
What are the key properties of 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 455.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 166529556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).