6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

C26H25N7 — CID 67225099

IUPAC6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESc1cnc2ccc(C3(c4cnc5ncc(-c6cnn(C7CCNCC7)c6)cn45)CC3)cc2c1
InChIInChI=1S/C26H25N7/c1-2-18-12-21(3-4-23(18)28-9-1)26(7-8-26)24-15-30-25-29-13-19(16-32(24)25)20-14-31-33(17-20)22-5-10-27-11-6-22/h1-4,9,12-17,22,27H,5-8,10-11H2
InChIKeyXRXTZMWTTVQTKA-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.15
Rot. Bonds4

About 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (PubChem CID 67225099) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
PubChem CID67225099
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESc1cnc2ccc(C3(c4cnc5ncc(-c6cnn(C7CCNCC7)c6)cn45)CC3)cc2c1
InChIInChI=1S/C26H25N7/c1-2-18-12-21(3-4-23(18)28-9-1)26(7-8-26)24-15-30-25-29-13-19(16-32(24)25)20-14-31-33(17-20)22-5-10-27-11-6-22/h1-4,9,12-17,22,27H,5-8,10-11H2
InChIKeyXRXTZMWTTVQTKA-UHFFFAOYSA-N
XLogP4.15
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (CID 67225099) is 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is c1cnc2ccc(C3(c4cnc5ncc(-c6cnn(C7CCNCC7)c6)cn45)CC3)cc2c1.
What is the InChIKey of 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The InChIKey is XRXTZMWTTVQTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-2-18-12-21(3-4-23(18)28-9-1)26(7-8-26)24-15-30-25-29-13-19(16-32(24)25)20-14-31-33(17-20)22-5-10-27-11-6-22/h1-4,9,12-17,22,27H,5-8,10-11H2.
What are the key properties of 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline has a molecular weight of 435.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is sourced from PubChem (CID 67225099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).