4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide

C23H30FN7O2 — CID 90155275

IUPAC4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCCNc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(C(C)(C)O)CC1
InChIInChI=1S/C23H30FN7O2/c1-4-25-18-11-19(29-21-17(24)13-31-20(30-21)9-10-27-31)26-12-16(18)22(32)28-15-7-5-14(6-8-15)23(2,3)33/h9-15,33H,4-8H2,1-3H3,(H,28,32)(H2,25,26,29,30)
InChIKeyYBFXCWOGLVBWJV-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.50
Rot. Bonds7

About 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide

4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 90155275) has the molecular formula C23H30FN7O2 and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
PubChem CID90155275
Molecular FormulaC23H30FN7O2
Molecular Weight455.54 g/mol
Exact Mass455.24
IUPAC Name4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCCNc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(C(C)(C)O)CC1
InChIInChI=1S/C23H30FN7O2/c1-4-25-18-11-19(29-21-17(24)13-31-20(30-21)9-10-27-31)26-12-16(18)22(32)28-15-7-5-14(6-8-15)23(2,3)33/h9-15,33H,4-8H2,1-3H3,(H,28,32)(H2,25,26,29,30)
InChIKeyYBFXCWOGLVBWJV-UHFFFAOYSA-N
XLogP3.50
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide (CID 90155275) is 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide is CCNc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(C(C)(C)O)CC1.
What is the InChIKey of 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is YBFXCWOGLVBWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O2/c1-4-25-18-11-19(29-21-17(24)13-31-20(30-21)9-10-27-31)26-12-16(18)22(32)28-15-7-5-14(6-8-15)23(2,3)33/h9-15,33H,4-8H2,1-3H3,(H,28,32)(H2,25,26,29,30).
What are the key properties of 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-[(6-fluoropyrazolo[1,5-a]pyrimidin-5-yl)amino]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 90155275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).