(3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine

C22H29N5O3 — CID 171424160

IUPAC(3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine
SMILESCN[C@@H]1CCN(c2cnc3c(c2)c(OC)nn3Cc2ccc(OC)cc2)C[C@@H]1OC
InChIInChI=1S/C22H29N5O3/c1-23-19-9-10-26(14-20(19)29-3)16-11-18-21(24-12-16)27(25-22(18)30-4)13-15-5-7-17(28-2)8-6-15/h5-8,11-12,19-20,23H,9-10,13-14H2,1-4H3/t19-,20+/m1/s1
InChIKeyNJSBLYDKIAWZNT-UXHICEINSA-N
MW411.51 g/mol
LogP2.31
Rot. Bonds7

About (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine

(3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine (PubChem CID 171424160) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine
PubChem CID171424160
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine
SMILESCN[C@@H]1CCN(c2cnc3c(c2)c(OC)nn3Cc2ccc(OC)cc2)C[C@@H]1OC
InChIInChI=1S/C22H29N5O3/c1-23-19-9-10-26(14-20(19)29-3)16-11-18-21(24-12-16)27(25-22(18)30-4)13-15-5-7-17(28-2)8-6-15/h5-8,11-12,19-20,23H,9-10,13-14H2,1-4H3/t19-,20+/m1/s1
InChIKeyNJSBLYDKIAWZNT-UXHICEINSA-N
XLogP2.31
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N'-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]-N-methylpropane-1,3-diamine
CID 135204305
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051
1-[(4-methoxyphenyl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 79397697
N-[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
CID 135205014
tert-butyl N-[4-[3-(difluoromethoxy)-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxycyclohexyl]carbamate
CID 165167199
3-(difluoromethoxy)-1-[(4-methoxyphenyl)methyl]-5-(4-nitrophenoxy)pyrazolo[5,4-b]pyridine
CID 165167066
1-(3-methoxyphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975437
4-[5-cyclopropyl-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]piperazine-1-carboxylic acid
CID 68759222
6-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 150500294
6-chloro-2-fluoro-N-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-3-[(4-methoxyphenoxy)-propylsulfonylamino]benzamide
CID 89258552
3-[4-[3-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]oxyphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 161276644
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine (CID 171424160) is (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine is CN[C@@H]1CCN(c2cnc3c(c2)c(OC)nn3Cc2ccc(OC)cc2)C[C@@H]1OC.
What is the InChIKey of (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine?
The InChIKey is NJSBLYDKIAWZNT-UXHICEINSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-23-19-9-10-26(14-20(19)29-3)16-11-18-21(24-12-16)27(25-22(18)30-4)13-15-5-7-17(28-2)8-6-15/h5-8,11-12,19-20,23H,9-10,13-14H2,1-4H3/t19-,20+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine?
(3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-[3-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 171424160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).