N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C22H25N7 — CID 53319377

IUPACN-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCc4ccccc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C22H25N7/c1-28-15-18(13-25-28)19-14-26-29-21(24-11-16-6-3-2-4-7-16)10-20(27-22(19)29)17-8-5-9-23-12-17/h2-4,6-7,10,13-15,17,23-24H,5,8-9,11-12H2,1H3
InChIKeyYXNNEFRRFMSNCQ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53319377) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53319377
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC NameN-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCc4ccccc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C22H25N7/c1-28-15-18(13-25-28)19-14-26-29-21(24-11-16-6-3-2-4-7-16)10-20(27-22(19)29)17-8-5-9-23-12-17/h2-4,6-7,10,13-15,17,23-24H,5,8-9,11-12H2,1H3
InChIKeyYXNNEFRRFMSNCQ-UHFFFAOYSA-N
XLogP3.21
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53319377) is N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NCc4ccccc4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YXNNEFRRFMSNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-28-15-18(13-25-28)19-14-26-29-21(24-11-16-6-3-2-4-7-16)10-20(27-22(19)29)17-8-5-9-23-12-17/h2-4,6-7,10,13-15,17,23-24H,5,8-9,11-12H2,1H3.
What are the key properties of N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 387.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53319377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).