6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine

C18H21FN8 — CID 166749900

IUPAC6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine
SMILESFC1CCN(c2ncc3ncnc(-c4cnn(C5CCNCC5)c4)c3n2)C1
InChIInChI=1S/C18H21FN8/c19-13-3-6-26(10-13)18-21-8-15-17(25-18)16(23-11-22-15)12-7-24-27(9-12)14-1-4-20-5-2-14/h7-9,11,13-14,20H,1-6,10H2
InChIKeyVKLRCHGVKFPGLW-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.76
Rot. Bonds3

About 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine

6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine (PubChem CID 166749900) has the molecular formula C18H21FN8 and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine
PubChem CID166749900
Molecular FormulaC18H21FN8
Molecular Weight368.42 g/mol
Exact Mass368.19
IUPAC Name6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine
SMILESFC1CCN(c2ncc3ncnc(-c4cnn(C5CCNCC5)c4)c3n2)C1
InChIInChI=1S/C18H21FN8/c19-13-3-6-26(10-13)18-21-8-15-17(25-18)16(23-11-22-15)12-7-24-27(9-12)14-1-4-20-5-2-14/h7-9,11,13-14,20H,1-6,10H2
InChIKeyVKLRCHGVKFPGLW-UHFFFAOYSA-N
XLogP1.76
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Avapritinib
CID 118023034
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70981821
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70982089
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(3-fluoro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
CID 70983443
N-[4-[(3S,5R)-3-amino-5-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007226
N-[4-[(2S,3S)-3-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007294
N-[4-[(2R,3S)-3-amino-2-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007298
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007349
5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254348

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine (CID 166749900) is 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine is FC1CCN(c2ncc3ncnc(-c4cnn(C5CCNCC5)c4)c3n2)C1.
What is the InChIKey of 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine?
The InChIKey is VKLRCHGVKFPGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8/c19-13-3-6-26(10-13)18-21-8-15-17(25-18)16(23-11-22-15)12-7-24-27(9-12)14-1-4-20-5-2-14/h7-9,11,13-14,20H,1-6,10H2.
What are the key properties of 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine?
6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine has a molecular weight of 368.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropyrrolidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 166749900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).