N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C18H23N7 — CID 171729690

IUPACN-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc4cn[nH]c4n3)cc2)CC1
InChIInChI=1S/C18H23N7/c1-24(2)15-7-9-25(10-8-15)16-5-3-14(4-6-16)21-18-19-11-13-12-20-23-17(13)22-18/h3-6,11-12,15H,7-10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyLRYJTUOTJXFVFD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.63
Rot. Bonds4

About N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 171729690) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID171729690
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc4cn[nH]c4n3)cc2)CC1
InChIInChI=1S/C18H23N7/c1-24(2)15-7-9-25(10-8-15)16-5-3-14(4-6-16)21-18-19-11-13-12-20-23-17(13)22-18/h3-6,11-12,15H,7-10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyLRYJTUOTJXFVFD-UHFFFAOYSA-N
XLogP2.63
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
methyl 2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]pyrimidine-5-carboxylate
CID 167777879
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
7-butan-2-yl-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-methylpyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 58015942
3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138521598
3-[[5-bromo-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]-1-(3-methylsulfanylpropyl)pyridin-2-one
CID 144643432
7-(6-chloro-2-methyl-1H-benzimidazol-5-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-2,4,5,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 147396230
CID 89175679
CID 89175679
N-[3-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]-2-methylpropane-2-sulfonamide
CID 149441219
N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide
CID 141212772
1-[(3S)-3-[8-anilino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 162356164
9-(1H-indazol-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]purin-2-amine
CID 67408968

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 171729690) is N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine is CN(C)C1CCN(c2ccc(Nc3ncc4cn[nH]c4n3)cc2)CC1.
What is the InChIKey of N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is LRYJTUOTJXFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24(2)15-7-9-25(10-8-15)16-5-3-14(4-6-16)21-18-19-11-13-12-20-23-17(13)22-18/h3-6,11-12,15H,7-10H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 337.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 171729690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).