2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine

C21H27N5O — CID 150642598

IUPAC2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc(Cn2cc3c(NCC(C)C)nccc3n2)ncc1OCC1CC1
InChIInChI=1S/C21H27N5O/c1-14(2)9-24-21-18-12-26(25-19(18)6-7-22-21)11-17-8-15(3)20(10-23-17)27-13-16-4-5-16/h6-8,10,12,14,16H,4-5,9,11,13H2,1-3H3,(H,22,24)
InChIKeyJAFPVTJAQDIHNB-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.04
Rot. Bonds8

About 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine

2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 150642598) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine
PubChem CID150642598
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc(Cn2cc3c(NCC(C)C)nccc3n2)ncc1OCC1CC1
InChIInChI=1S/C21H27N5O/c1-14(2)9-24-21-18-12-26(25-19(18)6-7-22-21)11-17-8-15(3)20(10-23-17)27-13-16-4-5-16/h6-8,10,12,14,16H,4-5,9,11,13H2,1-3H3,(H,22,24)
InChIKeyJAFPVTJAQDIHNB-UHFFFAOYSA-N
XLogP4.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine (CID 150642598) is 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine is Cc1cc(Cn2cc3c(NCC(C)C)nccc3n2)ncc1OCC1CC1.
What is the InChIKey of 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is JAFPVTJAQDIHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)9-24-21-18-12-26(25-19(18)6-7-22-21)11-17-8-15(3)20(10-23-17)27-13-16-4-5-16/h6-8,10,12,14,16H,4-5,9,11,13H2,1-3H3,(H,22,24).
What are the key properties of 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine?
2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 365.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylmethoxy)-4-methyl-2-pyridinyl]methyl]-N-(2-methylpropyl)pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 150642598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).