4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine

C24H25N5O2 — CID 118623628

IUPAC4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(Oc2ccccc2)ccc1Oc1ccnc2[nH]nc(N[C@@H]3CCCNC3)c12
InChIInChI=1S/C24H25N5O2/c1-16-14-19(30-18-7-3-2-4-8-18)9-10-20(16)31-21-11-13-26-23-22(21)24(29-28-23)27-17-6-5-12-25-15-17/h2-4,7-11,13-14,17,25H,5-6,12,15H2,1H3,(H2,26,27,28,29)/t17-/m1/s1
InChIKeyQRDRMPIODGHYRF-QGZVFWFLSA-N
MW415.50 g/mol
LogP5.01
Rot. Bonds6

About 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine

4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 118623628) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID118623628
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(Oc2ccccc2)ccc1Oc1ccnc2[nH]nc(N[C@@H]3CCCNC3)c12
InChIInChI=1S/C24H25N5O2/c1-16-14-19(30-18-7-3-2-4-8-18)9-10-20(16)31-21-11-13-26-23-22(21)24(29-28-23)27-17-6-5-12-25-15-17/h2-4,7-11,13-14,17,25H,5-6,12,15H2,1H3,(H2,26,27,28,29)/t17-/m1/s1
InChIKeyQRDRMPIODGHYRF-QGZVFWFLSA-N
XLogP5.01
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-4-[cyclopropyl(methyl)amino]-1-[(3R)-3-[[4-(2-methyl-4-phenoxyphenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]piperidin-1-yl]but-2-en-1-one;hydrochloride
CID 118623726
4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 141188398
4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide
CID 118623845
4-[4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]phenoxy]-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118623414
N-[(3R)-piperidin-3-yl]-4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118624583
4-[[3-[[(3R)-piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623608
4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 141188379
N-(3-methyl-4-propan-2-ylphenyl)-3-[[3-(pyrrolidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]benzamide
CID 118623345
2-[[3-[[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-5-phenoxybenzonitrile
CID 118623285
(E)-4-[cyclopropyl(methyl)amino]-1-[(3R)-3-[[4-(4-phenoxyphenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]piperidin-1-yl]but-2-en-1-one
CID 118623239
N-cyclohexyl-4-[4-(5-methyl-1,3-thiazol-2-yl)phenoxy]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 157090385
(E)-4-[cyclopropyl(methyl)amino]-1-[3-[[4-(3-phenoxyphenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidin-1-yl]but-2-en-1-one
CID 118623173

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 118623628) is 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine is Cc1cc(Oc2ccccc2)ccc1Oc1ccnc2[nH]nc(N[C@@H]3CCCNC3)c12.
What is the InChIKey of 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is QRDRMPIODGHYRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-14-19(30-18-7-3-2-4-8-18)9-10-20(16)31-21-11-13-26-23-22(21)24(29-28-23)27-17-6-5-12-25-15-17/h2-4,7-11,13-14,17,25H,5-6,12,15H2,1H3,(H2,26,27,28,29)/t17-/m1/s1.
What are the key properties of 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine?
4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 415.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 118623628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).