N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide

C23H29N7O2 — CID 126718056

IUPACN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide
SMILESCC1COCC(C(=O)NCc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)N1
InChIInChI=1S/C23H29N7O2/c1-14-11-32-12-18(28-14)23(31)25-10-15-6-8-16(9-7-15)20-19-21(24)26-13-27-22(19)30(29-20)17-4-2-3-5-17/h6-9,13-14,17-18,28H,2-5,10-12H2,1H3,(H,25,31)(H2,24,26,27)
InChIKeyANEHXONPZKCDFA-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.18
Rot. Bonds5

About N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide (PubChem CID 126718056) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide
PubChem CID126718056
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC NameN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide
SMILESCC1COCC(C(=O)NCc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)N1
InChIInChI=1S/C23H29N7O2/c1-14-11-32-12-18(28-14)23(31)25-10-15-6-8-16(9-7-15)20-19-21(24)26-13-27-22(19)30(29-20)17-4-2-3-5-17/h6-9,13-14,17-18,28H,2-5,10-12H2,1H3,(H,25,31)(H2,24,26,27)
InChIKeyANEHXONPZKCDFA-UHFFFAOYSA-N
XLogP2.18
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-propan-2-ylbenzamide
CID 126717910
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-fluorobenzamide
CID 126717856
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-ethoxybenzamide
CID 126717887
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3-methylnaphthalene-2-carboxamide
CID 147791738
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
N-[[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 164851109
N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]naphthalene-1-carboxamide
CID 126718114
N-[[4-[4-amino-1-(4-oxocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 126717870
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide
CID 158186786
N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-pyridinyl]methyl]-2-methylbenzamide
CID 157350956
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 118579177
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2,5-difluorobenzamide
CID 118579117

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide?
The IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide (CID 126718056) is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide?
The canonical SMILES for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide is CC1COCC(C(=O)NCc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)N1.
What is the InChIKey of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide?
The InChIKey is ANEHXONPZKCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-14-11-32-12-18(28-14)23(31)25-10-15-6-8-16(9-7-15)20-19-21(24)26-13-27-22(19)30(29-20)17-4-2-3-5-17/h6-9,13-14,17-18,28H,2-5,10-12H2,1H3,(H,25,31)(H2,24,26,27).
What are the key properties of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide?
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5-methylmorpholine-3-carboxamide is sourced from PubChem (CID 126718056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).