7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C22H28N8O — CID 164570823

IUPAC7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(NCCc3ccn(C4CCC4CO)n3)nc2c1CC1CC1
InChIInChI=1S/C22H28N8O/c1-13-17(10-14-2-3-14)22-26-21(18(11-23)20(24)30(22)27-13)25-8-6-16-7-9-29(28-16)19-5-4-15(19)12-31/h7,9,14-15,19,31H,2-6,8,10,12,24H2,1H3,(H,25,26)
InChIKeyJPYOHPHAMSTCAP-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.24
Rot. Bonds8

About 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570823) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570823
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(NCCc3ccn(C4CCC4CO)n3)nc2c1CC1CC1
InChIInChI=1S/C22H28N8O/c1-13-17(10-14-2-3-14)22-26-21(18(11-23)20(24)30(22)27-13)25-8-6-16-7-9-29(28-16)19-5-4-15(19)12-31/h7,9,14-15,19,31H,2-6,8,10,12,24H2,1H3,(H,25,26)
InChIKeyJPYOHPHAMSTCAP-UHFFFAOYSA-N
XLogP2.24
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570823) is 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nn2c(N)c(C#N)c(NCCc3ccn(C4CCC4CO)n3)nc2c1CC1CC1.
What is the InChIKey of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is JPYOHPHAMSTCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-13-17(10-14-2-3-14)22-26-21(18(11-23)20(24)30(22)27-13)25-8-6-16-7-9-29(28-16)19-5-4-15(19)12-31/h7,9,14-15,19,31H,2-6,8,10,12,24H2,1H3,(H,25,26).
What are the key properties of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 420.52 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).