7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C18H21ClN8O — CID 164570625

IUPAC7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(NCCc3ccn(CC4CC(O)C4)n3)nc2c1Cl
InChIInChI=1S/C18H21ClN8O/c1-10-15(19)18-23-17(14(8-20)16(21)27(18)24-10)22-4-2-12-3-5-26(25-12)9-11-6-13(28)7-11/h3,5,11,13,28H,2,4,6-7,9,21H2,1H3,(H,22,23)
InChIKeyQMYAHCNEOSYJSP-UHFFFAOYSA-N
MW400.87 g/mol
LogP1.77
Rot. Bonds6

About 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570625) has the molecular formula C18H21ClN8O and a molecular weight of 400.87 g/mol. Its IUPAC name is 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570625
Molecular FormulaC18H21ClN8O
Molecular Weight400.87 g/mol
Exact Mass400.15
IUPAC Name7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2c(N)c(C#N)c(NCCc3ccn(CC4CC(O)C4)n3)nc2c1Cl
InChIInChI=1S/C18H21ClN8O/c1-10-15(19)18-23-17(14(8-20)16(21)27(18)24-10)22-4-2-12-3-5-26(25-12)9-11-6-13(28)7-11/h3,5,11,13,28H,2,4,6-7,9,21H2,1H3,(H,22,23)
InChIKeyQMYAHCNEOSYJSP-UHFFFAOYSA-N
XLogP1.77
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570625) is 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nn2c(N)c(C#N)c(NCCc3ccn(CC4CC(O)C4)n3)nc2c1Cl.
What is the InChIKey of 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is QMYAHCNEOSYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN8O/c1-10-15(19)18-23-17(14(8-20)16(21)27(18)24-10)22-4-2-12-3-5-26(25-12)9-11-6-13(28)7-11/h3,5,11,13,28H,2,4,6-7,9,21H2,1H3,(H,22,23).
What are the key properties of 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 400.87 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-chloro-5-[2-[1-[(3-hydroxycyclobutyl)methyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).