4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine

C25H31N9O — CID 142395649

IUPAC4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(Nc3cnn(C4CCN(CCOC)CC4)c3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C25H31N9O/c1-3-33-18-22(24(31-33)19-5-4-9-26-15-19)23-6-10-27-25(30-23)29-20-16-28-34(17-20)21-7-11-32(12-8-21)13-14-35-2/h4-6,9-10,15-18,21H,3,7-8,11-14H2,1-2H3,(H,27,29,30)
InChIKeyHOTDCFSAZNBBSB-UHFFFAOYSA-N
MW473.59 g/mol
LogP3.65
Rot. Bonds9

About 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine

4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 142395649) has the molecular formula C25H31N9O and a molecular weight of 473.59 g/mol. Its IUPAC name is 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine
PubChem CID142395649
Molecular FormulaC25H31N9O
Molecular Weight473.59 g/mol
Exact Mass473.27
IUPAC Name4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(Nc3cnn(C4CCN(CCOC)CC4)c3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C25H31N9O/c1-3-33-18-22(24(31-33)19-5-4-9-26-15-19)23-6-10-27-25(30-23)29-20-16-28-34(17-20)21-7-11-32(12-8-21)13-14-35-2/h4-6,9-10,15-18,21H,3,7-8,11-14H2,1-2H3,(H,27,29,30)
InChIKeyHOTDCFSAZNBBSB-UHFFFAOYSA-N
XLogP3.65
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine (CID 142395649) is 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine is CCn1cc(-c2ccnc(Nc3cnn(C4CCN(CCOC)CC4)c3)n2)c(-c2cccnc2)n1.
What is the InChIKey of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is HOTDCFSAZNBBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O/c1-3-33-18-22(24(31-33)19-5-4-9-26-15-19)23-6-10-27-25(30-23)29-20-16-28-34(17-20)21-7-11-32(12-8-21)13-14-35-2/h4-6,9-10,15-18,21H,3,7-8,11-14H2,1-2H3,(H,27,29,30).
What are the key properties of 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 473.59 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 142395649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).