N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C21H30N8O — CID 90103715

IUPACN-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cnn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H30N8O/c1-21(2,3)28-9-7-14(8-10-28)29-20(30-4)16(12-23-29)25-19-17-15(11-22-27-17)24-18(26-19)13-5-6-13/h11-14H,5-10H2,1-4H3,(H,22,27)(H,24,25,26)
InChIKeyPIBMOUSANHZKNU-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90103715) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90103715
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC NameN-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cnn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H30N8O/c1-21(2,3)28-9-7-14(8-10-28)29-20(30-4)16(12-23-29)25-19-17-15(11-22-27-17)24-18(26-19)13-5-6-13/h11-14H,5-10H2,1-4H3,(H,22,27)(H,24,25,26)
InChIKeyPIBMOUSANHZKNU-UHFFFAOYSA-N
XLogP3.61
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90103715) is N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COc1c(Nc2nc(C3CC3)nc3cn[nH]c23)cnn1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PIBMOUSANHZKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O/c1-21(2,3)28-9-7-14(8-10-28)29-20(30-4)16(12-23-29)25-19-17-15(11-22-27-17)24-18(26-19)13-5-6-13/h11-14H,5-10H2,1-4H3,(H,22,27)(H,24,25,26).
What are the key properties of N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 410.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-yl]-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90103715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).