(3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine

C24H30N8 — CID 90654177

IUPAC(3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@@H](N(C)C)C5)c34)cnn2C)cc1
InChIInChI=1S/C24H30N8/c1-6-16-7-9-17(10-8-16)22-19(13-27-30(22)4)21-20-23(31(5)28-21)25-15-26-24(20)32-12-11-18(14-32)29(2)3/h7-10,13,15,18H,6,11-12,14H2,1-5H3/t18-/m1/s1
InChIKeyCRNMQZGODAGJNN-GOSISDBHSA-N
MW430.56 g/mol
LogP3.13
Rot. Bonds5

About (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine

(3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 90654177) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID90654177
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name(3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@@H](N(C)C)C5)c34)cnn2C)cc1
InChIInChI=1S/C24H30N8/c1-6-16-7-9-17(10-8-16)22-19(13-27-30(22)4)21-20-23(31(5)28-21)25-15-26-24(20)32-12-11-18(14-32)29(2)3/h7-10,13,15,18H,6,11-12,14H2,1-5H3/t18-/m1/s1
InChIKeyCRNMQZGODAGJNN-GOSISDBHSA-N
XLogP3.13
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine (CID 90654177) is (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine is CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@@H](N(C)C)C5)c34)cnn2C)cc1.
What is the InChIKey of (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is CRNMQZGODAGJNN-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N8/c1-6-16-7-9-17(10-8-16)22-19(13-27-30(22)4)21-20-23(31(5)28-21)25-15-26-24(20)32-12-11-18(14-32)29(2)3/h7-10,13,15,18H,6,11-12,14H2,1-5H3/t18-/m1/s1.
What are the key properties of (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 430.56 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 90654177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).