5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H22FN7 — CID 135376593

IUPAC5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(N[C@H]3CCc4nc[nH]c4C3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H22FN7/c1-12(2)16-10-26-29-20(27-15-3-4-17-19(6-15)25-11-24-17)7-18(28-21(16)29)13-5-14(22)9-23-8-13/h5,7-12,15,27H,3-4,6H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyQSGCUIIXTDURCZ-HNNXBMFYSA-N
MW391.45 g/mol
LogP3.75
Rot. Bonds4

About 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 135376593) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID135376593
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(N[C@H]3CCc4nc[nH]c4C3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C21H22FN7/c1-12(2)16-10-26-29-20(27-15-3-4-17-19(6-15)25-11-24-17)7-18(28-21(16)29)13-5-14(22)9-23-8-13/h5,7-12,15,27H,3-4,6H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyQSGCUIIXTDURCZ-HNNXBMFYSA-N
XLogP3.75
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 135376593) is 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(N[C@H]3CCc4nc[nH]c4C3)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QSGCUIIXTDURCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-12(2)16-10-26-29-20(27-15-3-4-17-19(6-15)25-11-24-17)7-18(28-21(16)29)13-5-14(22)9-23-8-13/h5,7-12,15,27H,3-4,6H2,1-2H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 391.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 135376593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).