(1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine

C12H18N4 — CID 67083316

IUPAC(1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine
SMILESCc1nn(C)c2c(C(C)C)cc(CN)nc12
InChIInChI=1S/C12H18N4/c1-7(2)10-5-9(6-13)14-11-8(3)15-16(4)12(10)11/h5,7H,6,13H2,1-4H3
InChIKeyZQDGYDHQDFEARD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.86
Rot. Bonds2

About (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine

(1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine (PubChem CID 67083316) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine
PubChem CID67083316
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine
SMILESCc1nn(C)c2c(C(C)C)cc(CN)nc12
InChIInChI=1S/C12H18N4/c1-7(2)10-5-9(6-13)14-11-8(3)15-16(4)12(10)11/h5,7H,6,13H2,1-4H3
InChIKeyZQDGYDHQDFEARD-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine?
The IUPAC name of (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine (CID 67083316) is (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine.
What is the SMILES notation for (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine?
The canonical SMILES for (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine is Cc1nn(C)c2c(C(C)C)cc(CN)nc12.
What is the InChIKey of (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine?
The InChIKey is ZQDGYDHQDFEARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7(2)10-5-9(6-13)14-11-8(3)15-16(4)12(10)11/h5,7H,6,13H2,1-4H3.
What are the key properties of (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine?
(1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine has a molecular weight of 218.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-7-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)methanamine is sourced from PubChem (CID 67083316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).