2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol

C22H25N7O — CID 137100729

IUPAC2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCN(CC2CC2)CC1
InChIInChI=1S/C22H25N7O/c23-21-19-20(18-10-14-9-16(30)3-4-17(14)26-18)27-29(22(19)25-12-24-21)15-5-7-28(8-6-15)11-13-1-2-13/h3-4,9-10,12-13,15,26,30H,1-2,5-8,11H2,(H2,23,24,25)
InChIKeyIAOBQOGMSMDIGT-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol

2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol (PubChem CID 137100729) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
PubChem CID137100729
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
SMILESNc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCN(CC2CC2)CC1
InChIInChI=1S/C22H25N7O/c23-21-19-20(18-10-14-9-16(30)3-4-17(14)26-18)27-29(22(19)25-12-24-21)15-5-7-28(8-6-15)11-13-1-2-13/h3-4,9-10,12-13,15,26,30H,1-2,5-8,11H2,(H2,23,24,25)
InChIKeyIAOBQOGMSMDIGT-UHFFFAOYSA-N
XLogP3.31
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 135565635
3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
(R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
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1-[3-(diethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
CID 183279
5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4-methyl-
CID 183280
3-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 44225587

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
The IUPAC name of 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol (CID 137100729) is 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol.
What is the SMILES notation for 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
The canonical SMILES for 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol is Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
The InChIKey is IAOBQOGMSMDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c23-21-19-20(18-10-14-9-16(30)3-4-17(14)26-18)27-29(22(19)25-12-24-21)15-5-7-28(8-6-15)11-13-1-2-13/h3-4,9-10,12-13,15,26,30H,1-2,5-8,11H2,(H2,23,24,25).
What are the key properties of 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol has a molecular weight of 403.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol is sourced from PubChem (CID 137100729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).