N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C29H34F2N8 — CID 130196673

IUPACN-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C(C)C1CC1
InChIInChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)
InChIKeyVUKGJVXJRDQYFA-UHFFFAOYSA-N
MW532.64 g/mol
LogP5.11
Rot. Bonds8

About N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 130196673) has the molecular formula C29H34F2N8 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID130196673
Molecular FormulaC29H34F2N8
Molecular Weight532.64 g/mol
Exact Mass532.29
IUPAC NameN-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C(C)C1CC1
InChIInChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)
InChIKeyVUKGJVXJRDQYFA-UHFFFAOYSA-N
XLogP5.11
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 130196673) is N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C(C)C1CC1.
What is the InChIKey of N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is VUKGJVXJRDQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36).
What are the key properties of N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 532.64 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-cyclopropylethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 130196673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).