6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C21H29IN8O — CID 143440237

IUPAC6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCCN4CCOCC4)c(I)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H29IN8O/c1-28-14-16(12-25-28)17-13-26-30-20(17)27-19(15-3-2-4-23-11-15)18(22)21(30)24-5-6-29-7-9-31-10-8-29/h12-15,23-24H,2-11H2,1H3
InChIKeyBZCCVPYRUQLGHX-UHFFFAOYSA-N
MW536.42 g/mol
LogP1.95
Rot. Bonds6

About 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440237) has the molecular formula C21H29IN8O and a molecular weight of 536.42 g/mol. Its IUPAC name is 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440237
Molecular FormulaC21H29IN8O
Molecular Weight536.42 g/mol
Exact Mass536.15
IUPAC Name6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCCN4CCOCC4)c(I)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H29IN8O/c1-28-14-16(12-25-28)17-13-26-30-20(17)27-19(15-3-2-4-23-11-15)18(22)21(30)24-5-6-29-7-9-31-10-8-29/h12-15,23-24H,2-11H2,1H3
InChIKeyBZCCVPYRUQLGHX-UHFFFAOYSA-N
XLogP1.95
TPSA84.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224369
6-(3-methoxyprop-1-enyl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224564
6-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224566
7-amino-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 16224568
6-iodo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46238916
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53316780
N-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321363
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321632
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53324706
2-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)ethanol
CID 53325960
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
[3-(6-Dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(1-methoxymethyl-propyl)-amine
CID 11211248

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440237) is 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(I)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BZCCVPYRUQLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29IN8O/c1-28-14-16(12-25-28)17-13-26-30-20(17)27-19(15-3-2-4-23-11-15)18(22)21(30)24-5-6-29-7-9-31-10-8-29/h12-15,23-24H,2-11H2,1H3.
What are the key properties of 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 536.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).