N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C20H24N4O4 — CID 162654783

IUPACN-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(CC3CC3)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1
InChIInChI=1S/C20H24N4O4/c1-25-15-9-13(10-16(26-2)18(15)28-4)24(11-12-5-6-12)20-14-7-8-17(27-3)21-19(14)22-23-20/h7-10,12H,5-6,11H2,1-4H3,(H,21,22,23)
InChIKeyDKTOJEAFCWTSRA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.54
Rot. Bonds8

About N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162654783) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID162654783
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(CC3CC3)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1
InChIInChI=1S/C20H24N4O4/c1-25-15-9-13(10-16(26-2)18(15)28-4)24(11-12-5-6-12)20-14-7-8-17(27-3)21-19(14)22-23-20/h7-10,12H,5-6,11H2,1-4H3,(H,21,22,23)
InChIKeyDKTOJEAFCWTSRA-UHFFFAOYSA-N
XLogP3.54
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 162654783) is N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is COc1ccc2c(N(CC3CC3)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is DKTOJEAFCWTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-25-15-9-13(10-16(26-2)18(15)28-4)24(11-12-5-6-12)20-14-7-8-17(27-3)21-19(14)22-23-20/h7-10,12H,5-6,11H2,1-4H3,(H,21,22,23).
What are the key properties of N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 384.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162654783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).