N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide

C30H35FN4O2 — CID 168918979

IUPACN-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1(C)Cc2ccc(/C=C\CCC3CC(=O)NC(N)=N3)cc2C(NC(=O)c2cc(F)c3c(c2)CCC3)C1
InChIInChI=1S/C30H35FN4O2/c1-30(2)16-20-11-10-18(6-3-4-8-22-15-27(36)35-29(32)33-22)12-24(20)26(17-30)34-28(37)21-13-19-7-5-9-23(19)25(31)14-21/h3,6,10-14,22,26H,4-5,7-9,15-17H2,1-2H3,(H,34,37)(H3,32,33,35,36)/b6-3-
InChIKeyYDRBKBBIYRSYMD-UTCJRWHESA-N
MW502.63 g/mol
LogP4.75
Rot. Bonds6

About N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide

N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 168918979) has the molecular formula C30H35FN4O2 and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID168918979
Molecular FormulaC30H35FN4O2
Molecular Weight502.63 g/mol
Exact Mass502.27
IUPAC NameN-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1(C)Cc2ccc(/C=C\CCC3CC(=O)NC(N)=N3)cc2C(NC(=O)c2cc(F)c3c(c2)CCC3)C1
InChIInChI=1S/C30H35FN4O2/c1-30(2)16-20-11-10-18(6-3-4-8-22-15-27(36)35-29(32)33-22)12-24(20)26(17-30)34-28(37)21-13-19-7-5-9-23(19)25(31)14-21/h3,6,10-14,22,26H,4-5,7-9,15-17H2,1-2H3,(H,34,37)(H3,32,33,35,36)/b6-3-
InChIKeyYDRBKBBIYRSYMD-UTCJRWHESA-N
XLogP4.75
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2,3-dihydro-1H-indene-5-carboxamide;ethane
CID 168919427
N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 168919235
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol
CID 168919178
N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane
CID 168919287
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-1,1-dimethyl-3,4-dihydroisochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 168919381
N-(7-cyano-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl)benzamide
CID 54111455
2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one
CID 168919360
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
(3R)-3-(3-amino-5,5-dimethyl-7-oxo-2,6-dihydro-1,4-diazepin-1-yl)-N-[(4S)-2,2,6-trimethyl-5-[(Z)-prop-1-enyl]-3,4-dihydropyran-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 163222352
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide
CID 51958789
(11aS)-10-fluoro-N-hydroxy-11a-methyl-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine-8-carboxamide
CID 164868822

Frequently Asked Questions

What is the IUPAC name of N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide (CID 168918979) is N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide is CC1(C)Cc2ccc(/C=C\CCC3CC(=O)NC(N)=N3)cc2C(NC(=O)c2cc(F)c3c(c2)CCC3)C1.
What is the InChIKey of N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is YDRBKBBIYRSYMD-UTCJRWHESA-N. The full InChI is InChI=1S/C30H35FN4O2/c1-30(2)16-20-11-10-18(6-3-4-8-22-15-27(36)35-29(32)33-22)12-24(20)26(17-30)34-28(37)21-13-19-7-5-9-23(19)25(31)14-21/h3,6,10-14,22,26H,4-5,7-9,15-17H2,1-2H3,(H,34,37)(H3,32,33,35,36)/b6-3-.
What are the key properties of N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide?
N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 502.63 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 168918979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).