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

C21H26N8O — CID 164570832

IUPAC7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(NCCc3ccn(C4(CO)CC4)n3)nc2c1CC1CC1
InChIInChI=1S/C21H26N8O/c1-13-16(10-14-2-3-14)20-25-19(17(11-22)18(23)29(20)26-13)24-8-4-15-5-9-28(27-15)21(12-30)6-7-21/h5,9,14,30H,2-4,6-8,10,12,23H2,1H3,(H,24,25)
InChIKeyIBWJYMSOLBLBLC-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.78
Rot. Bonds8

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

7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570832) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570832
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(NCCc3ccn(C4(CO)CC4)n3)nc2c1CC1CC1
InChIInChI=1S/C21H26N8O/c1-13-16(10-14-2-3-14)20-25-19(17(11-22)18(23)29(20)26-13)24-8-4-15-5-9-28(27-15)21(12-30)6-7-21/h5,9,14,30H,2-4,6-8,10,12,23H2,1H3,(H,24,25)
InChIKeyIBWJYMSOLBLBLC-UHFFFAOYSA-N
XLogP1.78
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570823
2-[1-[3-[2-[(7-amino-3-chloro-6-cyano-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]pyrazol-1-yl]cyclopropyl]ethyl methanesulfonate
CID 164570697
7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570630
7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570855
7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570625
7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570609
N-[2-[1-[3-[2-[(7-amino-3-ethyl-6-isocyano-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]pyrazol-1-yl]cyclopropyl]ethyl]acetamide
CID 168771107
7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
CID 164570544
7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570616
7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570789
7-amino-3-(cyclopropylmethyl)-2-methyl-5-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570645
[1-[[3-[2-[(7-amino-3-ethyl-6-isocyano-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]pyrazol-1-yl]methyl]cyclopropyl]methanol
CID 168771199

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570832) is 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]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-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nn2c(N)c(C#N)c(NCCc3ccn(C4(CO)CC4)n3)nc2c1CC1CC1.
What is the InChIKey of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is IBWJYMSOLBLBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-13-16(10-14-2-3-14)20-25-19(17(11-22)18(23)29(20)26-13)24-8-4-15-5-9-28(27-15)21(12-30)6-7-21/h5,9,14,30H,2-4,6-8,10,12,23H2,1H3,(H,24,25).
What are the key properties of 7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 1.78, 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-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).