4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane

C23H34FN7O — CID 144624991

IUPAC4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane
SMILESCC.CCC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NCC(F)C(C)C
InChIInChI=1S/C21H28FN7O.C2H6/c1-5-14(4)26-17-10-19(27-18-7-9-29-20(28-18)6-8-25-29)23-11-15(17)21(30)24-12-16(22)13(2)3;1-2/h6-11,13-14,16H,5,12H2,1-4H3,(H,24,30)(H2,23,26,27,28);1-2H3
InChIKeyDJPWAPLVCMTDED-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.83
Rot. Bonds9

About 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane

4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane (PubChem CID 144624991) has the molecular formula C23H34FN7O and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane
PubChem CID144624991
Molecular FormulaC23H34FN7O
Molecular Weight443.57 g/mol
Exact Mass443.28
IUPAC Name4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane
SMILESCC.CCC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NCC(F)C(C)C
InChIInChI=1S/C21H28FN7O.C2H6/c1-5-14(4)26-17-10-19(27-18-7-9-29-20(28-18)6-8-25-29)23-11-15(17)21(30)24-12-16(22)13(2)3;1-2/h6-11,13-14,16H,5,12H2,1-4H3,(H,24,30)(H2,23,26,27,28);1-2H3
InChIKeyDJPWAPLVCMTDED-UHFFFAOYSA-N
XLogP4.83
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane?
The IUPAC name of 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane (CID 144624991) is 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane.
What is the SMILES notation for 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane?
The canonical SMILES for 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane is CC.CCC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NCC(F)C(C)C.
What is the InChIKey of 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane?
The InChIKey is DJPWAPLVCMTDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN7O.C2H6/c1-5-14(4)26-17-10-19(27-18-7-9-29-20(28-18)6-8-25-29)23-11-15(17)21(30)24-12-16(22)13(2)3;1-2/h6-11,13-14,16H,5,12H2,1-4H3,(H,24,30)(H2,23,26,27,28);1-2H3.
What are the key properties of 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane?
4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane has a molecular weight of 443.57 g/mol, XLogP of 4.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-(2-fluoro-3-methylbutyl)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 144624991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).